BQCA   Click here for help

GtoPdb Ligand ID: 5436

Synonyms: benzyl quinolone carboxylic acid
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 70.16
Molecular weight 279.09
XLogP 4.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2
Isomeric SMILES OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2
InChI InChI=1S/C17H13NO3/c19-16-15(17(20)21)13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16/h1-9H,10H2,(H,18,19)(H,20,21)
InChI Key LPQIYUCWQOQFCS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-benzyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
Synonyms Click here for help
benzyl quinolone carboxylic acid
Database Links Click here for help
CAS Registry No. 35975-82-7
GtoPdb PubChem SID 178102088
PubChem CID 17865255
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