Mrv1652309042000052D          

  1  0  0  0  0  0            999 V2000
   10.7983  -17.1792    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
CHEM003655

> <DATABASE_NAME>
chemdb

> <SMILES>
[Fe++]

> <INCHI_IDENTIFIER>
InChI=1S/Fe/q+2

> <INCHI_KEY>
CWYNVVGOOAEACU-UHFFFAOYSA-N

> <FORMULA>
Fe

> <MOLECULAR_WEIGHT>
55.845

> <EXACT_MASS>
55.934942133

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-iron(2+) ion

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
5.46

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.58

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
lambda2-iron(2+) ion

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4697

> <NAME>
Iron

> <CAS>
7439-89-6

> <SYNONYMS>
26Fe; Cobalt iron manganese oxide, carboxylic acid modified (generic); Dust, iron-ore, sinter; Ed-In-Sol; Eisen; Fatty acids, tall-oil, iron salts, basic; Fe; Fe-40; Feosol; Feostat; fer; Fer-In-Sol; Feraheme; Feratab; Ferate; Fergon; Ferralet; Ferretts; Ferro sanol; Ferro-Caps; Ferro-Time; Ferrousal; Ferrum; Hierro; Iron alloy, base, Fe,P (Ferrophosphorus); Iron manganese oxide ((Fe,Mn)2O3); Iron ores, agglomerates; Iron sinter; IRON, ELEMENTAL; Iron-dextran complex; Modified lithium iron phosphate (generic); Siderol; Simron; Slow Fe; Vitedyn-Slo; Yieronia

> <TYPES>
Inorganic Compound; Metal; Drug; Anti-Anemic Agent; Food Toxin; Metabolite; Household Toxin; Synthetic Compound; Trace Element; Supplement

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