Mrv0541 02231216532D          

  7  6  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Co  0  1  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 N   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
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
M  CHG  1   2   3
M  END
> <DATABASE_ID>
DB03350

> <DATABASE_NAME>
drugbank

> <SMILES>
N[Co+3](N)(N)(N)(N)N

> <INCHI_IDENTIFIER>
InChI=1S/Co.6H2N/h;6*1H2/q+9;6*-1

> <INCHI_KEY>
InChIKey=QRZXATGLRMBRQI-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
12.105116777205968

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_EXACT_MASS>
155.045544608

> <JCHEM_FORMAL_CHARGE>
3

> <JCHEM_FORMULA>
CoH12N6

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexaaminocobalttris(ylium)

> <JCHEM_LOGP>
-2.4328

> <JCHEM_MASS>
155.0687

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA_STRONGEST_BASIC>
4.8523111636776965

> <JCHEM_POLAR_SURFACE_AREA>
156.12

> <JCHEM_REFRACTIVITY>
31.704600000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
cobalt hexammine ion

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03350

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Cobalt Hexammine Ion

$$$$