Mrv0541 02241205042D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1151

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Mn]O[Mn]=O

> <INCHI_IDENTIFIER>
InChI=1S/2Mn.3O

> <INCHI_KEY>
GEYXPJBPASPPLI-UHFFFAOYSA-N

> <FORMULA>
Mn2O3

> <MOLECULAR_WEIGHT>
157.8743

> <EXACT_MASS>
157.860843138

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
7.355899180418524

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxo[(oxomanganio)oxy]manganese

> <JCHEM_LOGP>
-1.3316

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9690778890174876

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
4.236

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
manganese(III) oxide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1151

> <NAME>
Manganese(III) oxide

> <CAS>
1317-34-6

> <SYNONYMS>
Dimanganese trioxide; Manganese manganate; Manganese oxide (Mn2O3); Manganese sesquioxide; Manganese sesquioxide, Mn2O3; Manganese sisquioxide; Manganese trioxide; Manganese(3+) oxide; Manganese(III)oxide; Manganic oxide

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

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