Mrv1572004161622042D          

  6  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.6518   -1.6500    0.0000 F   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6500    0.0000 Sb  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   4  -1   5  -1   6   2
M  END
> <DATABASE_ID>
CHEM001612

> <DATABASE_NAME>
chemdb

> <SMILES>
C.C.C.[F-].[Cl-].[SbH3++]

> <INCHI_IDENTIFIER>
InChI=1S/3CH4.ClH.FH.Sb.3H/h3*1H4;2*1H;;;;/q;;;;;+2;;;/p-2

> <INCHI_KEY>
OBYGLUXLSOHQLX-UHFFFAOYSA-L

> <FORMULA>
C3H15ClFSb

> <MOLECULAR_WEIGHT>
227.36

> <EXACT_MASS>
225.98844

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5910020514760492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ⁵-antimony(2+) ion tris(methane) chloride fluoride

> <ALOGPS_LOGP>
0.59

> <JCHEM_LOGP>
1.0809229439999999

> <ALOGPS_LOGS>
-0.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
6.3468

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.87e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ⁵-antimony(2+) ion tris(methane) chloride fluoride

> <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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