Mrv0541 02241205422D          

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M  END
> <DATABASE_ID>
T3D1894

> <DATABASE_NAME>
t3db

> <SMILES>
O=C(O[Sb](OC(=O)C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/2C7H6O2.3C6H5.Sb/c2*8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);3*1-5H;/q;;;;;+2/p-2

> <INCHI_KEY>
TUWAYFRMQJZRFR-UHFFFAOYSA-L

> <FORMULA>
C32H25O4Sb

> <MOLECULAR_WEIGHT>
595.3

> <EXACT_MASS>
594.079102332

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
51.242942938708524

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(benzoyloxy)triphenylstibanyl benzoate

> <ALOGPS_LOGP>
7.18

> <JCHEM_LOGP>
9.359599999999997

> <ALOGPS_LOGS>
-6.69

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.388990451792496

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
141.1961

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.20e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(benzoyloxy)triphenylstibanyl benzoate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1894

> <NAME>
Triphenylantimony dibenzoate

> <CAS>
57997-56-5

> <SYNONYMS>
Triphenylantimony(V) dibenzoate

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

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