Mrv1718010201713022D          

  7  2  0  0  0  0            999 V2000
   -2.2393    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2393   -0.7562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1179   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5965   -1.0312    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    1.3110   -0.6187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001362

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.O.O.Cl[Mn]Cl

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.Mn.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2

> <INCHI_KEY>
CNFDGXZLMLFIJV-UHFFFAOYSA-L

> <FORMULA>
Cl2H8MnO4

> <MOLECULAR_WEIGHT>
197.905

> <EXACT_MASS>
196.918013794

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
manganese(2+) tetrahydrate dichloride

> <ALOGPS_LOGP>
0.98

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-0.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.6156

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.28e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
manganese(II) chloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001362

> <NAME>
Manganese chloride tetrahydrate

> <DRUG_DRUGBANK_ID>
DB06757

> <DRUG_NAME>
Manganese

> <CAS_NUMBER>
13446-34-9

> <UNII>
QQE170PANO

$$$$