α-methyl-5-HT   

GtoPdb Ligand ID: 152

Synonyms: α-methylserotonin | α-Me-5-HT
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 62.04
Molecular weight 190.11
XLogP 1.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(Cc1c[nH]c2c1cc(O)cc2)N
Isomeric SMILES CC(Cc1c[nH]c2c1cc(O)cc2)N
InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3
InChI Key LYPCGXKCQDYTFV-UHFFFAOYSA-N
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Isomeric SMILES Download
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InChI standard key Download

Molecular structure representations generated using Open Babel