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Caesspitenone
FEATURES
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NAMES
  • Caesspitenone
SMILES
CC1(C)C=CC(=O)[C@@](C)([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)O1
InChI
InChI=1S/C15H22BrClO2/c1-13(2)7-6-12(18)15(4,19-13)10-5-8-14(3,17)11(16)9-10/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11-,14-,15+/m0/s1
MOLECULAR FORMULA
C15H22BrClO2
CROSS REFERENCES
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Caesspitenone

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 348.05
AlogP 4.24
HBond donors 0
HBond acceptors 2
Atoms 41
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Caesspitenone.