Molecule

ID:90497

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c1-6(8)7-2-4-9-5-3-7/h7H,2-5H2,1H3
InChIKey
VNMXIOWPBADSIC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1CCOCC1
Isomeric Smiles
O1CCC(CC1)C(=O)C
Calculated Properties
JChem
Acid pKa
18.790041
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5272856
LogD (pH = 7.4)
0.5272856
Log P
0.5272856
Molar Refractivity
34.9455
Polarizability
13.668409
Polar Surface Area
26.3
Rotatable Bonds
1
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
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References
Bioactivity
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