Molecule

ID:135384

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O₂
Molecular Mass
187.28383484
Exact Mass
187.16533478
Charge
0
InChI
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)/i11+1
InChIKey
ZDPHROOEEOARMN-KHWBWMQUSA-N
Canonic Smiles
CCCCCCCCCC[13C](=O)O
Isomeric Smiles
CCCCCCCCCC[13C](=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.377934
LogD (pH = 7.4)
1.6187989
Log P
4.0337396
Molar Refractivity
54.0786
Polarizability
21.497852
Polar Surface Area
37.3
Rotatable Bonds
9
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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