Mrv0541 02241205432D          

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M  END
> <DATABASE_ID>
T3D1899

> <DATABASE_NAME>
t3db

> <SMILES>
FC(F)(F)C1=CC(=CC=C1)[Sb](C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC(=C1)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/3C7H4F3.Sb/c3*8-7(9,10)6-4-2-1-3-5-6;/h3*1-2,4-5H;

> <INCHI_KEY>
FYZWFHUZJNROTI-UHFFFAOYSA-N

> <FORMULA>
C21H12F9Sb

> <MOLECULAR_WEIGHT>
557.07

> <EXACT_MASS>
555.983347273

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
37.155632859525845

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris[3-(trifluoromethyl)phenyl]stibane

> <ALOGPS_LOGP>
6.29

> <JCHEM_LOGP>
7.4606

> <ALOGPS_LOGS>
-5.33

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
94.34400000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.62e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tris[3-(trifluoromethyl)phenyl]stibane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1899

> <NAME>
Tris(3-(trifluoromethyl)phenyl)antimony

> <CAS>
386-91-4

> <SYNONYMS>
3-(2-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarin; Coumarin 30; Coumarin 515

> <TYPES>
Organic Compound; Aromatic Hydrocarbon; Organofluoride; Antimony Compound; Organometallic; Pollutant; Food Toxin; Synthetic Compound

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