Mrv1909 03292017362D          

  2  1  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <DATABASE_ID>
DB15648

> <DATABASE_NAME>
drugbank

> <SMILES>
O=[Ca]

> <INCHI_IDENTIFIER>
InChI=1S/Ca.O

> <INCHI_KEY>
ODINCKMPIJJUCX-UHFFFAOYSA-N

> <FORMULA>
CaO

> <MOLECULAR_WEIGHT>
56.077

> <EXACT_MASS>
55.9575055

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
2.768578570701309

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxocalcium

> <ALOGPS_LOGP>
-1.30

> <JCHEM_LOGP>
-0.8513999999999998

> <ALOGPS_LOGS>
0.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.735795358565773

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
1.4429

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.54e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
calcium oxide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB15648

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Calcium oxide

> <SYNONYMS>
Burnt lime; Calcium monoxide; Calcium oxide; Calx; Lime; Lime (calcium oxide); Quick lime; Quicklime

> <PRODUCTS>
Bdferm Biospray; Clean All; EVECODE ECO FRIENDLY MULTI SANITIZERspray; EVECODE Eco-Friendly Safe SanitizerSpray

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