Molecule

ID:85681

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c1-3-9-7(8)6-4-5(6)2/h5-6H,3-4H2,1-2H3
InChIKey
JWYSLVLBKXDZCW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC1C
Isomeric Smiles
O=C(C1CC1C)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3461716
LogD (pH = 7.4)
1.3461716
Log P
1.3461716
Molar Refractivity
34.1092
Polarizability
13.668409
Polar Surface Area
26.3
Rotatable Bonds
3
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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