(+)-SKF 10.047   

GtoPdb Ligand ID: 6677

Synonyms: (+)-SK&F10047
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 23.47
Molecular weight 257.18
XLogP 3.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C=CCN1CCC2(C(C1Cc1c2cc(cc1)O)C)C
Isomeric SMILES C=CCN1CC[C@]2([C@@H]([C@@H]1Cc1c2cc(cc1)O)C)C
InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17+/m1/s1
InChI Key LGQCVMYAEFTEFN-DQYPLSBCSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel