Mrv0541 08301402152D          

  2  1  0  0  0  0            999 V2000
    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
  2  1  2  0  0  0  0
M  RAD  1   1   3
M  END
> <DATABASE_ID>
T3D1651

> <DATABASE_NAME>
t3db

> <INCHI_IDENTIFIER>
InChI=1S/CHN/c1-2/h2H

> <INCHI_KEY>
QIUBLANJVAOHHY-UHFFFAOYSA-N

> <FORMULA>
CHN

> <MOLECULAR_WEIGHT>
27.0253

> <EXACT_MASS>
27.010899037

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
2.496453824132873

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
iminomethylidene

> <JCHEM_LOGP>
-0.1799

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.261971008725773

> <JCHEM_POLAR_SURFACE_AREA>
23.85

> <JCHEM_REFRACTIVITY>
15.357800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitriliomethanide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1651

> <NAME>
Hydrogen isocyanide

> <CAS>
6914-07-4

> <SYNONYMS>
Blausaeure; Cyanwasserstoff; Formonitrile; HCN; Hydrocyanic acid; [CHN]

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

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