Mrv0541 02241205442D          

  9  4  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
    4.3607    0.0000    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 O   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
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1588

> <DATABASE_NAME>
t3db

> <SMILES>
N.N.[Pd].ON=O.ON=O

> <INCHI_IDENTIFIER>
InChI=1S/2HNO2.2H3N.Pd/c2*2-1-3;;;/h2*(H,2,3);2*1H3;

> <INCHI_KEY>
PTOOLXWNOYYJDB-UHFFFAOYSA-N

> <FORMULA>
H8N4O4Pd

> <MOLECULAR_WEIGHT>
234.51

> <EXACT_MASS>
233.958037851

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
2.8096222239433186

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(nitrous acid) diamine palladium

> <JCHEM_LOGP>
0.166137638

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.320000070774052

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4679102843579623

> <JCHEM_POLAR_SURFACE_AREA>
49.660000000000004

> <JCHEM_REFRACTIVITY>
8.7217

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bis(nitrous acid) diamine palladium

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1588

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

> <CAS>
28068-05-5

> <SYNONYMS>
Diamminebis(nitrito-o)palladium; Dinitritodiamminepalladium (II)

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

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