Molecule

ID:108772

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂O
Molecular Mass
124.18028
Exact Mass
124.088815
Charge
0
InChI
InChI=1S/C8H12O/c1-7(9)6-8-4-2-3-5-8/h2,4,8H,3,5-6H2,1H3
InChIKey
LHAJIBPLECWWQP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CC1CCC=C1
Isomeric Smiles
CC(=O)CC1CCC=C1
Calculated Properties
JChem
Acid pKa
19.561928
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6018932
LogD (pH = 7.4)
1.6018932
Log P
1.6018932
Molar Refractivity
38.4877
Polarizability
14.569685
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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