Molecule

ID:109379

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3
InChIKey
UTXVCHVLDOLVPC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C=C(C)C
Isomeric Smiles
CCOC(=O)C=C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.898979
LogD (pH = 7.4)
1.898979
Log P
1.898979
Molar Refractivity
36.7646
Polarizability
14.1462145
Polar Surface Area
26.3
Rotatable Bonds
3
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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