Mrv1652306061823112D          

 20 22  0  0  0  0            999 V2000
    0.9319   -2.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457   -2.1415    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    2.3595   -1.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396   -1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595   -0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8853   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4146   -1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734   -2.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457   -3.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2913   -3.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7872   -1.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645   -4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7872   -0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8853   -4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1252

> <DATABASE_NAME>
t3db

> <SMILES>
O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1

> <INCHI_KEY>
BFWMWWXRWVJXSE-UHFFFAOYSA-M

> <FORMULA>
C18H16OSn

> <MOLECULAR_WEIGHT>
367.03

> <EXACT_MASS>
368.022311705

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
31.015882215041664

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
triphenylstannanol

> <ALOGPS_LOGP>
4.38

> <JCHEM_LOGP>
2.6103999999999994

> <ALOGPS_LOGS>
-4.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.492558217746348

> <JCHEM_PKA_STRONGEST_BASIC>
-5.645155035557747

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
78.98750000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.49e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
triphenyltin hydroxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1252

> <NAME>
Hydroxytriphenylstannane

> <CAS>
76-87-9

> <SYNONYMS>
Ashlade flotin; Brestan H 47.5 WP fungicide; Brestan R; Dowco 186; Du-Ter; Du-ter fungicide; Du-ter fungicide wettable powder; Du-Ter PB-47 Fungicide; Du-Ter W-50; Du-Tur Flowable-30; Duter; Duter extra; Erithane; Farmatin; Fenolovo; Fentin; Fentin hydroxide; Fentin hydroxide, BSI; Fentine; Fintin hydroxid; Fintin hydroxyde; Fintin idrossido; Fintine hydroxide; Fintine hydroxyde; Flo Tin 4L; Flo-tin 4L; Haitin; Haitin WP 20 (fentin hydroxide 20%); Haitin WP 60 (fentin hydroxide 60%); Hydroxyde de triphenyl-etain; Hydroxytriphenyl-Stannane; Hydroxytriphenyl-Tin; Hydroxytriphenyltin; Ida, Imc Flo-Tin 4L; Idrossido di stagno trifenile; K 19; Kelthone; Phenostat-a h; Phenostat-h; Quadrangle super-tin 4L; Sn(OH)Ph3; Sunitron h; Super tin; Super tin 4 L; Super tin 4L; Super Tin 4L Gardian Flowable Fungicide; Suzu h; Suzu-h; Tenhide; TPTH; TPTH technical; Tptoh; Trifenyl-tinhydroxyde; Trifenylstanniumhydroxid; Triphenyl tin hydroxide; Triphenyl-Stannol; Triphenyl-zinnhydroxid; Triphenylhydroxytin; Triphenylstannanol; Triphenylstannium hydroxide; Triphenyltin hydroxide; Triphenyltin oxide; Triphenyltin(IV) hydroxide; Triphenytin hydroxide; Triple tin; Triple Tin 4L; Vancide KS; Vito spot fungicide; Wesley technical triphenyltin hydroxide; [Sn(OH)Ph3]

> <TYPES>
Organic Compound; Pesticide; Tin Compound; Organometallic; Food Toxin; Metabolite; Synthetic Compound

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