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Isoespintanol
FEATURES
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NAMES
  • Isoespintanol
SMILES
COc1cc(C)c(OC)c(O)c1C(C)C
InChI
InChI=1S/C12H18O3/c1-7(2)10-9(14-4)6-8(3)12(15-5)11(10)13/h6-7,13H,1-5H3
MOLECULAR FORMULA
C12H18O3
CROSS REFERENCES
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Isoespintanol

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 210.13
AlogP 2.84
HBond donors 1
HBond acceptors 3
Atoms 33
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Isoespintanol.