Mrv1572004061616032D          

  4  2  0  0  0  0            999 V2000
    0.0295    0.3904    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.3903    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.3903    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
M  CHG  3   1   2   3  -1   4  -1
M  END
> <DATABASE_ID>
DB09116

> <DATABASE_NAME>
drugbank

> <SMILES>
[Ca++].[N-]=C=[N-]

> <INCHI_IDENTIFIER>
InChI=1S/CN2.Ca/c2-1-3;/q-2;+2

> <INCHI_KEY>
MYFXBBAEXORJNB-UHFFFAOYSA-N

> <FORMULA>
CCaN2

> <MOLECULAR_WEIGHT>
80.103

> <EXACT_MASS>
79.9687389

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
2.906726523512437

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium (azanidylenemethylidene)azanide

> <ALOGPS_LOGP>
0.04

> <JCHEM_LOGP>
-0.25363408266666665

> <ALOGPS_LOGS>
-1.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.557269819007672

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
6.3844

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
calcium (azanidylenemethylidene)azanide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09116

> <DRUG_GROUPS>
approved; withdrawn

> <GENERIC_NAME>
Calcium carbimide

> <SYNONYMS>
Calcium carbimide; calcium cyanamide; carbimida calcica; carbimide calcique; Cyanamide calcique; Cyanamide, calcium salt (1:1); Lime nitrogen; Lime-nitrogen; methanediimine, calcium salt (1:1); Nitrogen lime

> <PRODUCTS>
Temposil Tab 50mg

> <SALTS>
Citrated calcium carbimide

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