Mrv1909 11191922112D          

  6  2  0  0  0  0            999 V2000
   -0.3984    0.1067    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -1.0599    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818   -0.4766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -0.1067    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.9817    0.4766    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5652    1.0599    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
  5  6  2  0  0  0  0
M  CHG  3   4  -1   5   1   6  -1
M  END
> <DATABASE_ID>
DB02013

> <DATABASE_NAME>
drugbank

> <SMILES>
O.[Fe].[Fe].[N-]=[N+]=[N-]

> <INCHI_IDENTIFIER>
InChI=1S/2Fe.N3.H2O/c;;1-3-2;/h;;;1H2/q;;-1;

> <INCHI_KEY>
RZHWLGRUSMSXRP-UHFFFAOYSA-N

> <FORMULA>
Fe2H2N3O

> <MOLECULAR_WEIGHT>
171.727

> <EXACT_MASS>
171.890207

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
2.7030617402501784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2lambda5-triaz-1-en-2-yn-1-ide hydrate diiron

> <JCHEM_LOGP>
0.07809129666666668

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.091567813652693

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
7.6

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2lambda5-triaz-1-en-2-yn-1-ide hydrate diiron

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB02013

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01417

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Iron azide hydrate

> <SYNONYMS>
Monoazido-mu-oxo-diiron; Monoazido-μ-Oxo-Diiron

$$$$