Mrv0541 09231417092D          

 11 12  0  0  0  0            999 V2000
   -1.9346    1.6400    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
   -1.9346    2.7399    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -1.9346    0.5401    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    2.4746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1450    0.8617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8593    1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8593    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1450    2.5115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  8  0  0  0  0
  3  1  8  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  1  8  0  0  0  0
  8  1  8  0  0  0  0
  7  1  8  0  0  0  0
  4  1  8  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  STY  6   1 DAT   2 DAT   3 DAT   4 DAT   5 DAT   6 DAT
M  SAL   1  2   2   1
M  SDT   1 MRV_COORDINATE_BOND_TYPE                              
M  SDD   1     0.0000    0.0000    DR    ALL  0       0  
M  SED   1 1
M  SAL   2  2   3   1
M  SDT   2 MRV_COORDINATE_BOND_TYPE                              
M  SDD   2     0.0000    0.0000    DR    ALL  0       0  
M  SED   2 2
M  SAL   3  2  11   1
M  SDT   3 MRV_COORDINATE_BOND_TYPE                              
M  SDD   3     0.0000    0.0000    DR    ALL  0       0  
M  SED   3 9
M  SAL   4  2   8   1
M  SDT   4 MRV_COORDINATE_BOND_TYPE                              
M  SDD   4     0.0000    0.0000    DR    ALL  0       0  
M  SED   4 10
M  SAL   5  2   7   1
M  SDT   5 MRV_COORDINATE_BOND_TYPE                              
M  SDD   5     0.0000    0.0000    DR    ALL  0       0  
M  SED   5 11
M  SAL   6  2   4   1
M  SDT   6 MRV_COORDINATE_BOND_TYPE                              
M  SDD   6     0.0000    0.0000    DR    ALL  0       0  
M  SED   6 12
M  END
> <DATABASE_ID>
T3D1413

> <DATABASE_NAME>
t3db

> <SMILES>
[Cl-].[Cl-].[Ni++].NCCN.NCCN

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

> <INCHI_KEY>
GLQZBBIWDPHOLM-UHFFFAOYSA-L

> <FORMULA>
C4H16Cl2N4Ni

> <MOLECULAR_WEIGHT>
249.796

> <EXACT_MASS>
248.010549868

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
20.804235738217635

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <ALOGPS_LOGP>
-1.77

> <ALOGPS_LOGS>
0.97

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_PKA_STRONGEST_BASIC>
12.569144587167001

> <JCHEM_POLAR_SURFACE_AREA>
66.44

> <ALOGPS_SOLUBILITY>
5.60e+02 g/l

> <T3DB_ID>
T3D1413

> <NAME>
Dichlorobis(ethylenediamine)nickel(II)

> <CAS>
22980-82-1

> <SYNONYMS>
Bis(Ethylenediamine)Nickel(II) Chloride

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

$$$$