BVT173187   

GtoPdb Ligand ID: 5825

Synonyms: BVT 173187
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 49.33
Molecular weight 328.98
XLogP 5.32
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl
Isomeric SMILES Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl
InChI InChI=1S/C14H10Cl3NO2/c1-7-2-3-10(16)12(4-7)18-14(20)9-5-8(15)6-11(17)13(9)19/h2-6,19H,1H3,(H,18,20)
InChI Key UCOQCHLODZCXRH-UHFFFAOYSA-N