Molecule

ID:118946

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄O
Molecular Mass
208.33976
Exact Mass
208.18271539
Charge
0
InChI
InChI=1S/C14H24O/c1-5-12(10-15)6-7-13-11(2)8-9-14(13,3)4/h6,15H,5,7-10H2,1-4H3/b12-6+
InChIKey
JHBZZLGWQDSNEM-WUXMJOGZSA-N
Canonic Smiles
CC/C(=C\CC1=C(C)CCC1(C)C)/CO
Isomeric Smiles
C1(=C(CCC1(C)C)C)C/C=C(/CO)\CC
Calculated Properties
JChem
Acid pKa
16.980787
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3136535
LogD (pH = 7.4)
3.3136535
Log P
3.3136535
Molar Refractivity
67.2866
Polarizability
25.960133
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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