normetanephrine   Click here for help

GtoPdb Ligand ID: 6643

Compound class: Metabolite
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 75.71
Molecular weight 183.09
XLogP -0.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCC(c1ccc(c(c1)OC)O)O
Isomeric SMILES NCC(c1ccc(c(c1)OC)O)O
InChI InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3
InChI Key YNYAYWLBAHXHLL-UHFFFAOYSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel