Mrv1652309042000212D
1 0 0 0 0 0 999 V2000
14.2183 -17.5908 0.0000 Mn 0 2 0 0 0 0 0 0 0 0 0 0
M CHG 1 1 2
M END
> <DATABASE_ID>
NP0044430
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[Mn++]
> <INCHI_IDENTIFIER>
InChI=1S/Mn/q+2
> <INCHI_KEY>
WAEMQWOKJMHJLA-UHFFFAOYSA-N
> <FORMULA>
Mn
> <MOLECULAR_WEIGHT>
54.938
> <EXACT_MASS>
54.938049636
> <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>
manganese(2+) ion
> <JCHEM_LOGP>
-0.156
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
2
> <JCHEM_PKA>
3.55
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09
> <JCHEM_POLAR_SURFACE_AREA>
0.0
> <JCHEM_REFRACTIVITY>
0.0
> <JCHEM_ROTATABLE_BOND_COUNT>
0
> <JCHEM_RULE_OF_FIVE>
1
> <JCHEM_TRADITIONAL_IUPAC>
manganese(2+) ion
> <JCHEM_VEBER_RULE>
1
$$$$