Mrv0541 02241205222D          

 13  8  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   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -2.0625    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    4.9793   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6938   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4083   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6938   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  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 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1596

> <DATABASE_NAME>
t3db

> <SMILES>
N.N.N.N.OC(=O)O[Pd]OC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2CH2O3.4H3N.Pd/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);4*1H3;/q;;;;;;+2/p-2

> <INCHI_KEY>
QYYPTZGPXKUKRM-UHFFFAOYSA-L

> <FORMULA>
C2H14N4O6Pd

> <MOLECULAR_WEIGHT>
296.58

> <EXACT_MASS>
295.994817287

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
9.956942548494549

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(carboxyoxy)palladio hydrogen carbonate tetraamine

> <JCHEM_LOGP>
1.0737999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.743114915894828

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.140569292668362

> <JCHEM_POLAR_SURFACE_AREA>
93.06

> <JCHEM_REFRACTIVITY>
17.1412

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(carboxyoxy)palladio hydrogen carbonate tetraamine

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1596

> <NAME>
Tetraammine palladium hydrogen carbonate

> <CAS>
134620-00-1

> <SYNONYMS>
Palladium(2+), Tetraammine-, (sp-4-1)-, Carbonate (1:2); Tetraammine palladium hydrogen carbonic acid

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

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