Mrv1652309042000212D          

  2  1  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
T3D0189

> <DATABASE_NAME>
t3db

> <SMILES>
[C-]#[O+]

> <INCHI_IDENTIFIER>
InChI=1S/CO/c1-2

> <INCHI_KEY>
UGFAIRIUMAVXCW-UHFFFAOYSA-N

> <FORMULA>
CO

> <MOLECULAR_WEIGHT>
28.01

> <EXACT_MASS>
27.99491462

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
1.944703610827415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
-0.06

> <ALOGPS_LOGS>
-1.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
26.2298

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.37e+00 g/l

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0189

> <NAME>
Carbon monoxide

> <CAS>
630-08-0

> <SYNONYMS>
Carbon(II) oxide; Carbonous oxide; CO

> <TYPES>
Organic Compound; Industrial By-product/Pollutant; Pollutant; Food Toxin; Metabolite; Industrial/Workplace Toxin; Natural Compound

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