Mrv0541 02241205052D          

 11 10  0  0  0  0            999 V2000
    1.7605   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -1.4289    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -1.4289    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1154

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Mn](=O)(=O)O[Ca]O[Mn](=O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Ca.2Mn.8O

> <INCHI_KEY>
AJUDBILLGBUJQB-UHFFFAOYSA-N

> <FORMULA>
CaMn2O8

> <MOLECULAR_WEIGHT>
277.949

> <EXACT_MASS>
277.798007403

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
13.905290590364865

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexaoxo-2,4-dioxa-1,5-dimangana-3-calcapentane

> <JCHEM_LOGP>
-3.566

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.044017342125435

> <JCHEM_POLAR_SURFACE_AREA>
120.88

> <JCHEM_REFRACTIVITY>
11.357800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hexaoxo-2,4-dioxa-1,5-dimangana-3-calcapentane

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1154

> <NAME>
Calcium permanganate

> <CAS>
10118-76-0

> <SYNONYMS>
Acerdol; Calcium permanganic acid; Permanganic acid (hmno4), calcium salt

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

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