APR19   Click here for help

GtoPdb Ligand ID: 8662

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 0
Molecular weight 322.25
XLogP 6.86
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES FC1CCC2(C(=CCC3C2CCC2(C3CCC(C2F)C)C)C1)C
Isomeric SMILES F[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC[C@H]([C@@H]2F)C)C)C1)C
InChI InChI=1S/C21H32F2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h5,13,15-19H,4,6-12H2,1-3H3/t13-,15+,16?,17?,18?,19+,20+,21+/m1/s1
InChI Key UEILQXVVJHZGQK-KYFJQHFKSA-N