Showing NP-Card for Iron (NP0044437)

  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

  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>
NP0044437

> <DATABASE_NAME>
NP-MRD

> <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

$$$$

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1 Fe   UNK     0      20.157 -32.068   0.000  0.00  0.00          Fe+2
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END