Mrv0541 11271416212D          

  4  2  0  0  0  0            999 V2000
   -1.8857    0.0000    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    0.2357    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0607    0.0000    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
T3D0678

> <DATABASE_NAME>
t3db

> <SMILES>
[Li+].[O-][Co]=O

> <INCHI_IDENTIFIER>
InChI=1S/Co.Li.2O/q;+1;;-1

> <INCHI_KEY>
BFZPBUKRYWOWDV-UHFFFAOYSA-N

> <FORMULA>
CoLiO2

> <MOLECULAR_WEIGHT>
97.873

> <EXACT_MASS>
97.939033487

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
4.111841721910673

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lithium(1+) ion cobaltoylolate

> <ALOGPS_LOGP>
-0.89

> <JCHEM_LOGP>
-1.2875999999999999

> <ALOGPS_LOGS>
0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9999999999999996

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.68e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lithium(1+) ion cobaltoylolate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0678

> <NAME>
Lithium cobalt oxide

> <CAS>
12190-79-3

> <SYNONYMS>
LiCoO2; Lithium cobalt(III) oxide; Lithium cobaltite

> <TYPES>
Inorganic Compound; Organic Compound; Organochloride; Amine; Cobalt Compound; Ether; Amide; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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