5-fluorotryptamine   Click here for help

GtoPdb Ligand ID: 146

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 41.81
Molecular weight 178.09
XLogP 1.57
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1c[nH]c2c1cc(F)cc2
Isomeric SMILES NCCc1c[nH]c2c1cc(F)cc2
InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
InChI Key ZKIORVIXEWIOGB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(5-fluoro-1H-indol-3-yl)ethanamine
Database Links Click here for help
BindingDB Ligand 50331289
CAS Registry No. 2711-58-2 (source: NCI)
ChEMBL Ligand CHEMBL275628
GtoPdb PubChem SID 135649833
PubChem CID 164682
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