Molecule

ID:109121

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂O₂
Molecular Mass
140.17968
Exact Mass
140.08372962
Charge
0
InChI
InChI=1S/C8H12O2/c1-6(2)5-10-8(9)7(3)4/h1,3,5H2,2,4H3
InChIKey
TVBLIEXOPWWREN-UHFFFAOYSA-N
Canonic Smiles
CC(=C)COC(=O)C(=C)C
Isomeric Smiles
CC(=C)COC(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2823362
LogD (pH = 7.4)
2.2823362
Log P
2.2823362
Molar Refractivity
39.8623
Polarizability
15.744822
Polar Surface Area
26.3
Rotatable Bonds
4
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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