SN-2   

GtoPdb Ligand ID: 6402

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 21.59
Molecular weight 255.16
XLogP 4.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cc1cc(C)c(c(c1)C)C1=NOC2C1C1CCC2C1
Isomeric SMILES Cc1cc(C)c(c(c1)C)C1=NOC2C1C1CCC2C1
InChI InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3
InChI Key WKLZNTYMDOPBSE-UHFFFAOYSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel