CHPG   Click here for help

GtoPdb Ligand ID: 1417

Synonyms: 2-chloro-5-hydroxyphenylglycine
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 83.55
Molecular weight 201.02
XLogP -1.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(c1cc(O)ccc1Cl)N
Isomeric SMILES OC(=O)C(c1cc(O)ccc1Cl)N
InChI InChI=1S/C8H8ClNO3/c9-6-2-1-4(11)3-5(6)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)
InChI Key UNIDAFCQFPGYJJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-2-(2-chloro-5-hydroxyphenyl)acetic acid
Synonyms Click here for help
2-chloro-5-hydroxyphenylglycine
Database Links Click here for help
BindingDB Ligand 50084142
CAS Registry No. 170846-74-9 (source: Scifinder)
ChEMBL Ligand CHEMBL345498
GtoPdb PubChem SID 135650090
PubChem CID 3645780
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CHPG
Cat. No. 1049