Mrv0541 05041408562D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM006126

> <DATABASE_NAME>
chemdb

> <SMILES>
O.[Fe]

> <INCHI_IDENTIFIER>
InChI=1S/Fe.H2O/h;1H2

> <INCHI_KEY>
WKPSFPXMYGFAQW-UHFFFAOYSA-N

> <FORMULA>
FeH2O

> <MOLECULAR_WEIGHT>
73.86

> <EXACT_MASS>
73.945506819

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydrate iron

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydrate iron

> <JCHEM_VEBER_RULE>
1

> <NAME>
IRON OXIDE

> <CAS>
1332-37-2

$$$$