Mrv0541 02241205222D          

 11 10  0  0  0  0            999 V2000
   -0.7145    0.1375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2750    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7939    0.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1096    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7939   -0.7622    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.0317   -1.0779    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.2695   -0.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2695    0.7622    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.0317    1.0779    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  4  0  0  0
 10 11  2  0  0  0  0
  4 11  1  0  0  0  0
M  CHG  4   6  -1   7  -1  10  -1  11  -1
M  END
> <DATABASE_ID>
T3D1589

> <DATABASE_NAME>
t3db

> <SMILES>
Cl[Pd]Cl.C1C[C-]=[C-]CC[C-]=[C-]1

> <INCHI_IDENTIFIER>
InChI=1S/C8H8.2ClH.Pd/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H2;2*1H;/q-4;;;+2/p-2

> <INCHI_KEY>
YVMUTMYXFQTYIO-UHFFFAOYSA-L

> <FORMULA>
C8H8Cl2Pd

> <MOLECULAR_WEIGHT>
281.48

> <EXACT_MASS>
279.903788757

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
11.877242464315053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cycloocta-1,5-diene-1,2,5,6-tetraide; dichloropalladium

> <JCHEM_LOGP>
2.8327060066666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
29.203999999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
cycloocta-1,5-diene-1,2,5,6-tetraide; palladium chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1589

> <NAME>
Dichloro(1,5-cyclooctadiene) palladium(II)

> <CAS>
12107-56-1

> <SYNONYMS>
Cycloocta-1,5-diene dichloropalladium; Dichloro(1,5-cyclooctadiene)palladium

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

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