Mrv0541 02231219182D          

  3  2  0  0  0  0            999 V2000
   17.9274  -10.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1024  -10.8152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7524  -10.8152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
M  END
> <DATABASE_ID>
DB09157

> <DATABASE_NAME>
drugbank

> <SMILES>
O=C=O

> <INCHI_IDENTIFIER>
InChI=1S/CO2/c2-1-3

> <INCHI_KEY>
CURLTUGMZLYLDI-UHFFFAOYSA-N

> <FORMULA>
CO2

> <MOLECULAR_WEIGHT>
44.0095

> <EXACT_MASS>
43.989829244

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5739427975841807

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methanedione

> <ALOGPS_LOGP>
-0.63

> <JCHEM_LOGP>
-0.27895710933333334

> <ALOGPS_LOGS>
0.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
6.3844

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.86e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09157

> <DRUG_GROUPS>
approved; investigational; vet_approved

> <GENERIC_NAME>
Carbon dioxide

> <SYNONYMS>
Carbon dioxide

> <PRODUCTS>
Air 90% Carbon Dioxide 10%; Carbogen; Carbon Dioxide; Carbon Dioxide 1% W Air; Carbon Dioxide 1% W Oxygen; Carbon Dioxide 100%; Carbon Dioxide 12.1% W Oxygen; Carbon Dioxide 15.1% W Air; Carbon Dioxide 23.1% W Oxygen; Carbon Dioxide 30.1% W Air; Carbon Dioxide 7.1% W Oxygen; Carbon Dioxide 99%; Carbon Dioxide Air; Carbon Dioxide Air Mix; Carbon Dioxide Air Mixture; Carbon Dioxide Compressed; Carbon Dioxide In Oxygen Mixture; Carbon Dioxide Mixture; Carbon Dioxide Nitrogen; Carbon Dioxide Oxygen; Carbon Dioxide Oxygen Mix; Carbon Dioxide Oxygen Mixture; Carbon Dioxide Oxygen Mixtures; Carbon Dioxide Refrigerated; Carbon Dioxide U.S.p; Carbon Dioxide USP; Carbon Dioxide USP, Compressed Air USP M.G.m; Carbon Dioxide USP, Oxygen USP Medical G.M.; Carbon Dioxide and Oxygen Mixture, Compressed, Oxidizing, N.O.S.; Carbon Dioxide, Air; Carbon Dioxide, Compressed Air Medical G.mix.; Carbon Dioxide, Refrigerated; Carbon Dioxide-Air Mixture; Carbon Dioxide-Oxygen Mixture; Carbon Dioxide-Oxygen-Nitrogen Mixture; Carbon Dioxide/Oxygen Mix; Compressed Gas N.O.S.; Compressed Gas, Oxidizing, N.O.S.; Lung Diffusion Test Mixture; Oxygen Carbon Dioxide Mix; Oxygen Carbon Dioxide Mixture; Oxygen, Carbon Dioxide; Oxygen-Carbon Dioxide Mixture

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