Mrv1572004161621522D          

  5  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    0.0000    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    0.0000    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000625

> <DATABASE_NAME>
chemdb

> <SMILES>
S.S.[Ni].[Ni].[Ni]

> <INCHI_IDENTIFIER>
InChI=1S/3Ni.2H2S/h;;;2*1H2

> <INCHI_KEY>
QVVFCMSLONJPFP-UHFFFAOYSA-N

> <FORMULA>
H4Ni3S2

> <MOLECULAR_WEIGHT>
244.23

> <EXACT_MASS>
241.781468

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trinickel disulfane

> <JCHEM_LOGP>
0.156

> <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

> <JCHEM_TRADITIONAL_IUPAC>
trinickel disulfane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0698

> <NAME>
Nickel subsulfide

> <CAS>
12035-72-2

> <SYNONYMS>
Ni3S2; Trinickel Disulfide

> <TYPES>
Inorganic Compound; Nickel Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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