Mrv0541 02241204572D          

 11 12  0  0  0  0            999 V2000
    2.5330    0.1698    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    2.5330   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2004   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9455   -1.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205   -1.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655   -1.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475    0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3337    1.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1407    1.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5532    0.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0671

> <DATABASE_NAME>
t3db

> <SMILES>
[Co](C1C=CC=C1)C1C=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/2C5H5.Co/c2*1-2-4-5-3-1;/h2*1-5H;

> <INCHI_KEY>
PXFGMRZPRDJDEK-UHFFFAOYSA-N

> <FORMULA>
C10H10Co

> <MOLECULAR_WEIGHT>
189.1196

> <EXACT_MASS>
189.011450514

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
16.063996383512773

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
bis(cyclopenta-2,4-dien-1-yl)cobalt

> <ALOGPS_LOGP>
3.05

> <JCHEM_LOGP>
1.5712000000000002

> <ALOGPS_LOGS>
-3.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.968189059430653

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.208794338107658

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
47.97180000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.57e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cobaltocene

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0671

> <NAME>
Cobaltocene

> <CAS>
1277-43-6

> <SYNONYMS>
Bis(cyclopentadienyl)cobalt; bis(eta-2,4-cyclopentadien-1-yl)-Cobalt; bis(eta-cyclopentadienyl)-Cobalt; bis(eta5-2,4-cyclopentadien-1-yl)-Cobalt; bis-(eta-Cyclopentadienyl) cobalt; di-pi-cyclopentadienyl-Cobalt; Dicyclopentadienylcobalt; [CO(eta(5)-C5H5)2]

> <TYPES>
Organic Compound; Aromatic Hydrocarbon; Cobalt Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

$$$$