S-(-)CPP   Click here for help

GtoPdb Ligand ID: 4098

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 46.53
Molecular weight 200.02
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(C(=O)O)Oc1ccc(cc1)Cl
Isomeric SMILES CC(C(=O)O)Oc1ccc(cc1)Cl
InChI InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChI Key DKHJWWRYTONYHB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-chlorophenoxy)propanoic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL23629
GtoPdb PubChem SID 178100921
PubChem CID 18703
Search Google for chemical match using the InChIKey DKHJWWRYTONYHB-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey DKHJWWRYTONYHB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DKHJWWRYTONYHB-UHFFFAOYSA-N