Molecule

ID:111781

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3
InChIKey
MSANHHHQJYQEOK-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C)CC(=O)C1
Isomeric Smiles
CC1CC(C)CC(=O)C1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0622325
LogD (pH = 7.4)
2.0622325
Log P
2.0622325
Molar Refractivity
37.3446
Polarizability
14.80832
Polar Surface Area
17.07
Rotatable Bonds
0
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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