Mrv0541 02231215172D          

  5  6  0  0  0  0            999 V2000
    1.7385    0.1019    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.6294   -0.3053    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    0.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429   -0.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016   -0.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000196

> <DATABASE_NAME>
chemdb

> <SMILES>
O1[As]2O[As]1O2

> <INCHI_IDENTIFIER>
InChI=1S/As2O3/c3-1-4-2(3)5-1

> <INCHI_KEY>
GOLCXWYRSKYTSP-UHFFFAOYSA-N

> <FORMULA>
As2O3

> <MOLECULAR_WEIGHT>
197.8414

> <EXACT_MASS>
197.8279367

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
7.139225388691452

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bicyclo[1.1.1]diarsoxane

> <JCHEM_LOGP>
2.3136

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.232891975854429

> <JCHEM_POLAR_SURFACE_AREA>
27.69

> <JCHEM_REFRACTIVITY>
4.0506

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
arsenic trioxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0224

> <NAME>
Arsenic trioxide

> <CAS>
1327-53-3

> <SYNONYMS>
Areseneous oxide; Arseneous anhydride; Arsenic sesquioxide; Arsenic(III) oxide; Arsenious acid; Arsenious Trioxide; Arsenous oxide; Arsentrioxide; Diarsenic trioxide; White arsenic

> <TYPES>
Inorganic Compound; Metalloid; Arsenic Compound; Pesticide; Pollutant; Drug; Antineoplastic Agent; Metabolite; Synthetic Compound; Homeopathic Agent

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