Molecule

ID:119077

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄O
Molecular Mass
196.32906
Exact Mass
196.18271539
Charge
0
InChI
InChI=1S/C13H24O/c1-2-3-4-5-6-11-13(14)12-9-7-8-10-12/h12H,2-11H2,1H3
InChIKey
MRBKZVGREYJKDO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)C1CCCC1
Isomeric Smiles
C(=O)(C1CCCC1)CCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6985927
LogD (pH = 7.4)
4.6985927
Log P
4.6985927
Molar Refractivity
60.4279
Polarizability
24.032774
Polar Surface Area
17.07
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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