7-OH-DPAT   

GtoPdb Ligand ID: 950

Synonyms: (+)-7-hydroxy-2-aminopropylaminotetralin | (+)7-OH-DPAT
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)cc(cc2)O)CCC
Isomeric SMILES CCCN(C1CCc2c(C1)cc(cc2)O)CCC
InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
InChI Key BLYMJBIZMIGWFK-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel