Molecule

ID:76255

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
InChIKey
IGMOYJSFRIASIE-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)CC(=O)C)C
Isomeric Smiles
O=C(CC(=O)CC(C)C)C
Calculated Properties
JChem
Acid pKa
7.7387056
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7577597
LogD (pH = 7.4)
1.5964954
Log P
1.7602574
Molar Refractivity
39.8665
Polarizability
15.611934
Polar Surface Area
34.14
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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