Mrv1572004251606392D          

  5  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
    1.8857    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.2429    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009785

> <DATABASE_NAME>
chemdb

> <SMILES>
O.O.O.[Fe].[Fe]

> <INCHI_IDENTIFIER>
InChI=1S/2Fe.3H2O/h;;3*1H2

> <INCHI_KEY>
YOBAEOGBNPPUQV-UHFFFAOYSA-N

> <FORMULA>
Fe2H6O3

> <MOLECULAR_WEIGHT>
165.735

> <EXACT_MASS>
165.901566

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trihydrate diiron

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
trihydrate diiron

> <JCHEM_VEBER_RULE>
1

> <NAME>
Umber

> <CAS>
12713-03-0

$$$$