6-fluorotryptophan   

GtoPdb Ligand ID: 5126

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 79.11
Molecular weight 222.08
XLogP -1.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(Cc1c[nH]c2c1ccc(c2)F)N
Isomeric SMILES OC(=O)C(Cc1c[nH]c2c1ccc(c2)F)N
InChI InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)
InChI Key YMEXGEAJNZRQEH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid
Database Links
CAS Registry No. 7730-20-3
ChEMBL Ligand CHEMBL472222
GtoPdb PubChem SID 178101819
PubChem CID 94937
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