Mrv0541 08261423162D          

 10  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.1232    0.0000    0.0000 Co  0  1  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1  -1   2  -1   3  -1   4   3
M  END
> <DATABASE_ID>
T3D0676

> <DATABASE_NAME>
t3db

> <SMILES>
N.N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Co+3]

> <INCHI_IDENTIFIER>
InChI=1S/3ClH.Co.6H3N/h3*1H;;6*1H3/q;;;+3;;;;;;/p-3

> <INCHI_KEY>
JXBGZYGSWFSYFI-UHFFFAOYSA-K

> <FORMULA>
Cl3CoH18N6

> <MOLECULAR_WEIGHT>
267.475

> <EXACT_MASS>
265.999052921

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cobalt(3+) ion hexaamine trichloride

> <ALOGPS_LOGP>
2.04

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-1.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.6156

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cobalt(3+) ion hexaamine trichloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0676

> <NAME>
Hexamminecobalt(III) chloride

> <CAS>
10534-89-1

> <SYNONYMS>
Cobalt hexammine chloride; Cobalt hexammine trichloride; Cobalt-hexamine chloride; Hexaaminecobalt chloride; Hexaaminecobalt trichloride; Hexaaminecobalt(3+) trichloride; Hexaamminecobalt chloride; Hexaamminecobalt(3+) trichloride; Hexaamminecobalt(III) chloride; Hexaminecobalt (III) trichloride; Hexaminecobalt(3+) trichloride; Hexaminocobaltic chloride; Hexammine cobalt(III) chloride; Hexamminocobalt chloride

> <TYPES>
Inorganic Compound; Organic Compound; Cobalt Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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