Molecule
ID:119020
General Information
Molecular Formula
C₁₂H₂₂O
Molecular Mass
182.30248
Exact Mass
182.16706532
Charge
0
InChI
InChI=1S/C12H22O/c1-2-3-4-5-10-12(13)11-8-6-7-9-11/h11H,2-10H2,1H3
InChIKey
JHYJGIXJJRHYOX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(=O)C1CCCC1
Isomeric Smiles
C(=O)(C1CCCC1)CCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.254024
LogD (pH = 7.4)
4.254024
Log P
4.254024
Molar Refractivity
55.8269
Polarizability
22.187208
Polar Surface Area
17.07
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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