Mrv0541 02241205272D          

  6  5  0  0  0  0            999 V2000
    1.4924    0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.7846    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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
  2  6  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1863

> <DATABASE_NAME>
t3db

> <SMILES>
C[Sb](C)(C)(F)Cl

> <INCHI_IDENTIFIER>
InChI=1S/3CH3.ClH.FH.Sb/h3*1H3;2*1H;/q;;;;;+2/p-2

> <INCHI_KEY>
FELKUNVYNVZPNU-UHFFFAOYSA-L

> <FORMULA>
C3H9ClFSb

> <MOLECULAR_WEIGHT>
221.31

> <EXACT_MASS>
219.941499244

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.091141923273636

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloro(fluoro)trimethylstibane

> <ALOGPS_LOGP>
1.73

> <JCHEM_LOGP>
0.16269999999999946

> <ALOGPS_LOGS>
-1.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
25.4747

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.91e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chloro(fluoro)trimethylstibane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1863

> <NAME>
Chlorofluorotrimethylantimony

> <CAS>
13077-54-8

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

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