Mrv0541 10161412292D          

  5  4  0  0  0  0            999 V2000
   -0.6370   -1.3849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -2.0090    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    0.6128   -2.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6128   -1.4570    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -2.4939    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  1  0  0  0
  2  4  1  6  0  0  0
  2  5  1  1  0  0  0
M  END
> <DATABASE_ID>
T3D1586

> <DATABASE_NAME>
t3db

> <SMILES>
N[Pd](N)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.2H2N.Pd/h2*1H;2*1H2;/q;;2*-1;+4/p-2

> <INCHI_KEY>
LXSVNTRDMUGFLL-UHFFFAOYSA-L

> <FORMULA>
Cl2H4N2Pd

> <MOLECULAR_WEIGHT>
209.37

> <EXACT_MASS>
207.878636639

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
10.307110980433345

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloropalladiumdiamine

> <ALOGPS_LOGP>
0.55

> <JCHEM_LOGP>
0.5913999999999998

> <ALOGPS_LOGS>
-0.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.556577840052665

> <JCHEM_POLAR_SURFACE_AREA>
52.04

> <JCHEM_REFRACTIVITY>
22.8408

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.53e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dichloropalladiumdiamine

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1586

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

> <CAS>
13782-33-7

> <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 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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