Mrv0541 02241205222D          

  7  2  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -2.0625    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    3.5504   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1595

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.4H3N.Pd/h2*1H;4*1H3;/q;;;;;;+2/p-2

> <INCHI_KEY>
AQBOUNVXZQRXNP-UHFFFAOYSA-L

> <FORMULA>
Cl2H12N4Pd

> <MOLECULAR_WEIGHT>
245.45

> <EXACT_MASS>
243.947384905

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.26531699074483

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloropalladium tetraamine

> <JCHEM_LOGP>
1.2689999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
12.2726

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
palladium chloride tetraamine

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1595

> <NAME>
Tetraammine palladium(II) chloride

> <CAS>
13815-17-3

> <SYNONYMS>
Dichlorotetramine palladium(II); Tetraamine palladium; Tetramine dichloropalladium(II)

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

$$$$