Mrv0541 08261423182D          

  5  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
    3.2411    0.0000    0.0000 N   0  0  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
    2.3571   -1.6500    0.0000 Pd  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -1   5   2
M  END
> <DATABASE_ID>
T3D1585

> <DATABASE_NAME>
t3db

> <SMILES>
N.N.[Cl-].[Cl-].[Pd++]

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.2H3N.Pd/h2*1H;2*1H3;/q;;;;+2/p-2

> <INCHI_KEY>
WIEZTXFTOIBIOC-UHFFFAOYSA-L

> <FORMULA>
Cl2H6N2Pd

> <MOLECULAR_WEIGHT>
211.39

> <EXACT_MASS>
209.894286703

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
palladium(2+) ion diamine dichloride

> <ALOGPS_LOGP>
0.74

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-0.46

> <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>
6.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
palladium(2+) ion diamine dichloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1585

> <NAME>
cis-Diamminedichloro-palladium(II)

> <CAS>
14323-43-4

> <SYNONYMS>
Chloropalladosamine; Chlorpalladosamine; Cis-diaminedichloropalladium (II); Cis-diaminedichloropalladium(II); Cis-diamminedichloropalladium; Cis-diamminedichloropalladium(II); Cis-dichlorodiamminepalladium(II); Cis-dichlorodiamminepalladium(III); Diammine palladium (II) chloride; Diamminedichloropalladium; Diamminedichloropalladium (II); Diamminedichloropalladium (SP-4-2); Diamminedichloropalladium (trans); Diamminodichloropalladium; Palladium (II) diammine dichloride; Palladium ammine chloride; Palladium diammine dichloride; Palladium, diamminedichloro-, (SP-4-2)- (9CI); Palladium, diamminedichloro-, cis- (8CI); Palladous amine chloride; Trans-diamminedichloropalladium; Trans-diamminedichloropalladium(II); Trans-dichlorodiamminepalladium(II)

> <TYPES>
Inorganic Compound; Organic Compound; Amine; Palladium Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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