Mrv0541 10161412052D          

 20 20  0  0  0  0            999 V2000
   -0.3348    0.6696    0.0000 Co  0  3  0  0  0  0  0  0  0  0  0  0
    0.2782    1.2216    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210    1.4901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3348   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188    0.3340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8731    0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8731   -0.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3796   -0.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333   -0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0312    0.8482    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -1.0884    1.0052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479    0.1176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0884    1.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029    1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5836   -0.4406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9479   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210   -0.9758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0776   -0.8698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8313    1.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258    0.5056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 11  1  6  0  0  0
 11  6  1  0  0  0  0
  1 12  1  1  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  CHG  2   1   1  10  -1
M  END
> <DATABASE_ID>
T3D1393

> <DATABASE_NAME>
t3db

> <SMILES>
[Cl-].[H][N]1([H])CC[N]([H])([H])[Co+]11(Cl)(Cl)[N]([H])([H])CC[N]1([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/2C2H8N2.3ClH.Co/c2*3-1-2-4;;;;/h2*1-4H2;3*1H;/q;;;;;+3/p-3

> <INCHI_KEY>
GVMSQWCTZLHSQH-UHFFFAOYSA-K

> <FORMULA>
C4H16Cl3CoN4

> <MOLECULAR_WEIGHT>
285.489

> <EXACT_MASS>
283.977254847

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
20.792431231331705

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,5-dichloro-1,4,6,9-tetraaza-5-cobaltaspiro[4.4]nonan-5-ylium chloride

> <ALOGPS_LOGP>
0.05

> <ALOGPS_LOGS>
-3.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
66.44

> <JCHEM_REFRACTIVITY>
89.98100000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.96e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,5-dichloro-1,4,6,9-tetraaza-5-cobaltaspiro[4.4]nonan-5-ylium chloride

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1393

> <NAME>
cis-Dichlorobis(ethylenediamine)cobalt(III) chloride

> <CAS>
14040-32-5

> <SYNONYMS>
trans-Dichlorobis(ethylenediamine)cobalt(1+) chloride; Trans-dichlorobis(ethylenediamine)cobalt(III) chloride

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

$$$$