Mrv0541 02241204312D          

  6  5  0  0  0  0            999 V2000
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   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
  5  6  3  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000692

> <DATABASE_NAME>
chemdb

> <SMILES>
C[Si](C)(C)C#N

> <INCHI_IDENTIFIER>
InChI=1S/C4H9NSi/c1-6(2,3)4-5/h1-3H3

> <INCHI_KEY>
LEIMLDGFXIOXMT-UHFFFAOYSA-N

> <FORMULA>
C4H9NSi

> <MOLECULAR_WEIGHT>
99.2065

> <EXACT_MASS>
99.050425826

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
10.450209336233346

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimethylsilanecarbonitrile

> <ALOGPS_LOGP>
1.10

> <JCHEM_LOGP>
1.9190999999999998

> <ALOGPS_LOGS>
-0.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
23.3029

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.96e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trimethylsilyl cyanide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0769

> <NAME>
Trimethylsilyl cyanide

> <CAS>
7677-24-9

> <SYNONYMS>
Cyanotrimethylsilane; TMSCN; Trimethyl silyl nitrile; Trimethyl-silanecarbonitrile; Trimethylsilylcarbonitrile; Trimethylsilylnitrile

> <TYPES>
Organic Compound; Cyanide Compound; Nitrile; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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