[3H]8-OH-DPAT   

GtoPdb Ligand ID: 31

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 247.19
XLogP 3.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCN(C1CCc2c(C1)c(O)ccc2)CCC
Isomeric SMILES CCCN(C1CCc2c(C1)c(O)ccc2)CCC
InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
InChI Key ASXGJMSKWNBENU-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel