Mrv1572004161622072D          

  5  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    0.0000    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    0.0000    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM001998

> <DATABASE_NAME>
chemdb

> <SMILES>
P.P.[Ca].[Ca].[Ca]

> <INCHI_IDENTIFIER>
InChI=1S/3Ca.2H3P/h;;;2*1H3

> <INCHI_KEY>
ACIPRABJBQOHLN-UHFFFAOYSA-N

> <FORMULA>
Ca3H6P2

> <MOLECULAR_WEIGHT>
188.23

> <EXACT_MASS>
187.8822469

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tricalcium diphosphane

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
-0.57

> <ALOGPS_LOGS>
0.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.73e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tricalcium diphosphane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D2409

> <NAME>
Calcium phosphide

> <CAS>
1305-99-3

> <SYNONYMS>
Calcium photophor; Photophor; Tricalcium diphosphide

> <TYPES>
Inorganic Compound; Pesticide; Phosphide; Synthetic Compound

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