Mrv1572004251605522D          

  8  7  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  7  2  3  0  0  0  0
  8  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009216

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl[Si](Cl)(Cl)CCC#N

> <INCHI_IDENTIFIER>
InChI=1S/C3H4Cl3NSi/c4-8(5,6)3-1-2-7/h1,3H2

> <INCHI_KEY>
OLBGECWYBGXCNV-UHFFFAOYSA-N

> <FORMULA>
C3H4Cl3NSi

> <MOLECULAR_WEIGHT>
188.51

> <EXACT_MASS>
186.9178588

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
14.8007730901674

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(trichlorosilyl)propanenitrile

> <ALOGPS_LOGP>
2.82

> <JCHEM_LOGP>
1.4903999999999997

> <ALOGPS_LOGS>
-3.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
33.6213

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.21e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-trichlorosilylpropionitrile

> <JCHEM_VEBER_RULE>
1

> <NAME>
3-Trichlorosilylpropionitrile

> <CAS>
1071-22-3

> <SYNONYMS>
3-(trichlorosilyl)propiononitrile; Propanenitrile, 3-(trichlorosilyl)-

$$$$