Molecule

ID:110554

General Information
Structure
Molecular Formula
C₁₂H₂₄O
Molecular Mass
184.31836
Exact Mass
184.18271539
Charge
0
InChI
InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3
InChIKey
GFWVDQCGGDBTBS-UHFFFAOYSA-N
Canonic Smiles
CC(CC(CC(=O)CC(C)C)C)C
Isomeric Smiles
CC(C)CC(C)CC(=O)CC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.146683
LogD (pH = 7.4)
4.146683
Log P
4.146683
Molar Refractivity
57.4984
Polarizability
22.924746
Polar Surface Area
17.07
Rotatable Bonds
6
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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