1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key ILNJBIQQAIIMEY-UHFFFAOYSA-N
Smiles OC(=O)c1c[nH]c2ccccc2c1=O
InChI
InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7N1O3
Molecular Weight 189.04
AlogP 1.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 70.16
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 13721-01-2
NORMAN SUSDAT
PubChem 220875
ChemSpider 191595.0
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