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Spicatanoic Acid
FEATURES
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NAMES
  • Spicatanoic acid
SMILES
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C(=O)O
InChI
InChI=1S/C17H24O3/c1-11-10-13(18)15-16(2,3)8-5-9-17(15,4)12(11)6-7-14(19)20/h6-7,10,12,15H,5,8-9H2,1-4H3,(H,19,20)/b7-6+/t12-,15-,17+/m0/s1
MOLECULAR FORMULA
C17H24O3
CROSS REFERENCES
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Spicatanoic Acid

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 276.17
AlogP 3.60
HBond donors 1
HBond acceptors 3
Atoms 44
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 Spicatanoic Acid.