Mrv1572004191602532D          

 17 14  0  0  0  0            999 V2000
   -0.9167    1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583   -0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3208    0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167   -0.3175    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3208   -1.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -0.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5655    0.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    0.4465    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3905    0.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292   -1.0320    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
    0.7333    1.1114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5655   -0.9824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
 11  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 16  3  1  0  0  0  0
 17 10  1  0  0  0  0
M  CHG  3   6  -1  13  -1  15   2
M  END
> <DATABASE_ID>
CHEM010136

> <DATABASE_NAME>
chemdb

> <SMILES>
[Co++].[H]\C(=C(/C)[O-])C(C)=O.[H]\C(=C(/C)[O-])C(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/2C5H8O2.Co/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;

> <INCHI_KEY>
UTYYEGLZLFAFDI-FDGPNNRMSA-L

> <FORMULA>
C10H14CoO4

> <MOLECULAR_WEIGHT>
257.151

> <EXACT_MASS>
257.022403

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
10.092134696276887

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-cobalt(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)

> <ALOGPS_LOGP>
1.07

> <JCHEM_LOGP>
0.3444997209999997

> <ALOGPS_LOGS>
-1.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.890059566095715

> <JCHEM_PKA_STRONGEST_BASIC>
-5.033887945513119

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
39.189600000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ²-cobalt(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)

> <JCHEM_VEBER_RULE>
0

> <NAME>
Cobalt, bis(2,4-pentanedionato-.kappa.O2,.kappa.O4)-, (SP-4-1)-

> <CAS>
14024-48-7

$$$$