Mrv1718009011817312D          

  4  3  0  0  0  0            999 V2000
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
M  END
> <DATABASE_ID>
DB14645

> <DATABASE_NAME>
drugbank

> <SMILES>
ClN(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/Cl3N/c1-4(2)3

> <INCHI_KEY>
QEHKBHWEUPXBCW-UHFFFAOYSA-N

> <FORMULA>
Cl3N

> <MOLECULAR_WEIGHT>
120.366

> <EXACT_MASS>
118.909632126

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
8.063384006442565

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloroamine

> <ALOGPS_LOGP>
-1.63

> <JCHEM_LOGP>
-0.14797429666666662

> <ALOGPS_LOGS>
-1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
22.427300000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.13e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
agene

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14645

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT002344

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Nitrogen trichloride

> <SYNONYMS>
Agene; Nitrogen chloride; Trichloramine

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