Molecule

ID:135415

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂O₂
Molecular Mass
140.17968
Exact Mass
140.08372962
Charge
0
InChI
InChI=1S/C8H12O2/c1-7(9)10-8-5-3-2-4-6-8/h5H,2-4,6H2,1H3
InChIKey
DRJNNZMCOCQJGI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC1=CCCCC1
Isomeric Smiles
CC(=O)OC1=CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3895622
LogD (pH = 7.4)
1.3895622
Log P
1.3895622
Molar Refractivity
39.9204
Polarizability
15.260673
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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