Mrv0541 02241204132D          

  6  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
M  CHG  3   1   2   2  -1   4  -1
M  END
> <DATABASE_ID>
T3D1131

> <DATABASE_NAME>
t3db

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

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

> <INCHI_KEY>
SQQMAOCOWKFBNP-UHFFFAOYSA-L

> <FORMULA>
MnO4S

> <MOLECULAR_WEIGHT>
151.001

> <EXACT_MASS>
150.889778814

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
manganese(2+) ion sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
manganese(2+) ion sulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1131

> <NAME>
Manganese sulfate

> <CAS>
7785-87-7

> <SYNONYMS>
Dimanganese tris(sulphate); Dimanganese trisulfate; Manganese (II) sulfate monohydrate; Manganese monosulfate; Manganese sulfate (MnSO4) monohydrate; Manganese sulfic acid; Manganese sulphate; Manganese sulphic acid; Manganic sulfate; Manganous sulfate; Manganous sulfate monohydrate; Manganous(II)sulfate monohydrate; Sulfuric acid, manganese(3+) salt (3:2)

> <TYPES>
Inorganic Compound; Manganese Compound; Pollutant; Food Toxin; Household Toxin; Synthetic Compound

$$$$