N-[3H]methylhistamine   

GtoPdb Ligand ID: 1241

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 43.84
Molecular weight 125.1
XLogP -0.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cn1cc(nc1)CCN
Isomeric SMILES Cn1cc(nc1)CCN
InChI InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
InChI Key FHQDWPCFSJMNCT-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel