9-anthroic acid   

GtoPdb Ligand ID: 4113

Synonyms: 9-AC | anthracene-10-carboxylic acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 222.07
XLogP 4.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)c1c2ccccc2cc2c1cccc2
Isomeric SMILES OC(=O)c1c2ccccc2cc2c1cccc2
InChI InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
InChI Key XGWFJBFNAQHLEF-UHFFFAOYSA-N
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
ClC-1 Hs Channel blocker - - - -
CaCC Hs Channel blocker - - - -
VRAC Hs Channel blocker - - - -
Targets where the ligand is described in the comment field
Target Comment
Ligand mentioned in the following text fields