Mrv0541 02241205042D          

  3  2  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    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
M  END
> <DATABASE_ID>
T3D1135

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Mn]=O

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

> <INCHI_KEY>
NUJOXMJBOLGQSY-UHFFFAOYSA-N

> <FORMULA>
MnO2

> <MOLECULAR_WEIGHT>
86.9368

> <EXACT_MASS>
86.92787888

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.194784183297976

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxomanganese

> <JCHEM_LOGP>
-1.1528

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.02462779027774

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
manganese dioxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1135

> <NAME>
Manganese dioxide

> <CAS>
1313-13-9

> <SYNONYMS>
Black manganese oxide; Bog manganese; Braunstein; Cement black; Glass-maker's soap; KM manganese dioxide; Manganese binoxide; Manganese black; Manganese(IV) oxide; Mangoxe; Pyrolusite brown

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

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