5,7-dichlorokynurenic acid   

GtoPdb Ligand ID: 2361

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 70.16
Molecular weight 256.96
XLogP 3.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cc(Cl)c2c(c1)[nH]c(cc2=O)C(=O)O
Isomeric SMILES Clc1cc(Cl)c2c(c1)[nH]c(cc2=O)C(=O)O
InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
InChI Key BGKFPRIGXAVYNX-UHFFFAOYSA-N