Mrv1909 02112116382D          

  7  4  0  0  0  0            999 V2000
   -1.5715    0.0048    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
   -0.0604   -0.1512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534   -0.5647    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7842   -0.5647    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4706    0.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3543    0.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715    0.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  2  0  0  0  0
M  CHG  3   1   2   3  -1   4  -1
M  END
> <DATABASE_ID>
DBSALT001360

> <DATABASE_NAME>
drugbank

> <SMILES>
O.[Mn++].[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Mn.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2

> <INCHI_KEY>
ISPYRSDWRDQNSW-UHFFFAOYSA-L

> <FORMULA>
H2MnO5S

> <MOLECULAR_WEIGHT>
169.016

> <EXACT_MASS>
168.9003435

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805309097760695

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
manganese(2+) hydrate sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dexamethasone phosphate(2-)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001360

> <NAME>
Manganese sulfate

> <DRUG_DRUGBANK_ID>
DB06757

> <DRUG_NAME>
Manganese

> <CAS_NUMBER>
10034-96-5

> <UNII>
W00LYS4T26

$$$$