3-phenyl-CPP   Click here for help

GtoPdb Ligand ID: 4104

Compound class: Synthetic organic
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 46.53
Molecular weight 276.06
XLogP 3.91
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)Cl
Isomeric SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)Cl
InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)
InChI Key CPBLTMSKPQDJPW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-chlorophenoxy)-3-phenylpropanoic acid
Database Links Click here for help
GtoPdb PubChem SID 178100927
PubChem CID 10356116
Search Google for chemical match using the InChIKey CPBLTMSKPQDJPW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CPBLTMSKPQDJPW
UniChem Compound Search for chemical match using the InChIKey CPBLTMSKPQDJPW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CPBLTMSKPQDJPW-UHFFFAOYSA-N