Mrv0541 05041401202D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM001023

> <DATABASE_NAME>
chemdb

> <SMILES>
O.[Cu]

> <INCHI_IDENTIFIER>
InChI=1S/Cu.H2O/h;1H2

> <INCHI_KEY>
PTVDYARBVCBHSL-UHFFFAOYSA-N

> <FORMULA>
CuH2O

> <MOLECULAR_WEIGHT>
81.561

> <EXACT_MASS>
80.940165765

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper hydrate

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
0.156

> <ALOGPS_LOGS>
0.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.71e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
copper hydrate

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1195

> <NAME>
Copper(II) oxide

> <CAS>
1317-38-0

> <SYNONYMS>
Black copper oxide; Copper (II) oxide (CuO); Copper monooxide; Copper monoxide; Cupric oxide; Natural tenorite; Paramelaconite; Precipitated cupric oxide

> <TYPES>
Inorganic Compound; Copper Compound; Household Toxin; Industrial/Workplace Toxin; Natural Compound

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