DCDPC   

GtoPdb Ligand ID: 4173

Synonyms: dichloro-diphenylamine 2-carboxylic acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 49.33
Molecular weight 281
XLogP 4.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O
Isomeric SMILES Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O
InChI InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-12-7-9(15)4-5-11(12)13(17)18/h1-7,16H,(H,17,18)
InChI Key GSDQYSSLIKJJOG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-chloro-2-[(3-chlorophenyl)amino]benzoic acid
Synonyms
dichloro-diphenylamine 2-carboxylic acid
Database Links
CAS Registry No. 17870-85-8 (source: Scifinder)
GtoPdb PubChem SID 178100993
PubChem CID 87345
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