Mrv0541 02241205422D          

 18 17  0  0  0  0            999 V2000
    0.9169   -6.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8148   -6.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4728   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3707   -4.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286   -4.2211    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    2.2987   -5.0007    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8535   -4.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2797   -4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8811   -5.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -6.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520   -3.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4223   -2.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160   -1.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684   -3.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0719   -3.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116   -2.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1151   -2.2682    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1884

> <DATABASE_NAME>
t3db

> <SMILES>
CCCC[Sb](Br)(CCCC)(CCCC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/4C4H9.BrH.Sb/c4*1-3-4-2;;/h4*1,3-4H2,2H3;1H;/q;;;;;+1/p-1

> <INCHI_KEY>
JVFNASPYONXEIE-UHFFFAOYSA-M

> <FORMULA>
C16H36BrSb

> <MOLECULAR_WEIGHT>
430.12

> <EXACT_MASS>
428.103856843

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
38.35565442839337

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bromotetrabutylstibane

> <ALOGPS_LOGP>
7.96

> <JCHEM_LOGP>
5.733900000000002

> <ALOGPS_LOGS>
-6.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
87.2388

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.00e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bromotetrabutylstibane

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1884

> <NAME>
Tetrabutylantimony(V) bromide

> <CAS>
45212-19-9

> <SYNONYMS>
Tetrabutylstibanium bromide

> <TYPES>
Organic Compound; Organobromide; Antimony Compound; Organometallic; Pollutant; Food Toxin; Synthetic Compound

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