Mrv0541 02241205062D          

  3  2  0  0  0  0            999 V2000
    0.3094   -0.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -0.1031    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    1.0238   -0.1031    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1194

> <DATABASE_NAME>
t3db

> <SMILES>
[Cu]O[Cu]

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

> <INCHI_KEY>
BERDEBHAJNAUOM-UHFFFAOYSA-N

> <FORMULA>
Cu2O

> <MOLECULAR_WEIGHT>
143.091

> <EXACT_MASS>
141.85411678

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
4.718569756767626

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(cupriooxy)copper

> <JCHEM_LOGP>
-1.2288000000000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.3805744839284655

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
1.3502

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
cuprous oxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1194

> <NAME>
Copper(I) oxide

> <CAS>
1317-39-1

> <SYNONYMS>
Brown copper oxide; Caocobre; Copper (I) oxide; Copper hemioxide; Copper nordox; Copper oxide red; Copper oxide, red; Copper protoxide; Copper sandoz; Copper sardez; Copper suboxide; Copper-sandoz; Cupper oxide; Dicopper monoxide; Dicopper oxide; Kuprite; Nordox; Oleo nordox; Oleocuivre; Perecot; Perenex; Perenox; Purple cuprous oxide

> <TYPES>
Inorganic Compound; Pesticide; Copper Compound; Household Toxin; Natural Compound

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