A-803467   Click here for help

GtoPdb Ligand ID: 5734

Synonyms: A 803467 | A803467
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 60.7
Molecular weight 357.08
XLogP 4.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(cc(c1)OC)NC(=O)c1ccc(o1)c1ccc(cc1)Cl
Isomeric SMILES COc1cc(cc(c1)OC)NC(=O)c1ccc(o1)c1ccc(cc1)Cl
InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
InChI Key VHKBTPQDHDSBSP-UHFFFAOYSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel