3-chlorotyrosine   

GtoPdb Ligand ID: 5114

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 83.55
Molecular weight 215.03
XLogP -1.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(Cc1ccc(c(c1)Cl)O)N
Isomeric SMILES OC(=O)C(Cc1ccc(c(c1)Cl)O)N
InChI InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)
InChI Key ACWBBAGYTKWBCD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid
Database Links
CAS Registry No. 7423-93-0
ChEBI CHEBI:53678
GtoPdb PubChem SID 178101807
PubChem CID 119226
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