Molecule

ID:134797

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₂
Molecular Mass
201.31041484
Exact Mass
201.18098485
Charge
0
InChI
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i11+1
InChIKey
POULHZVOKOAJMA-KHWBWMQUSA-N
Canonic Smiles
CCCCCCCCCC[13CH2]C(=O)O
Isomeric Smiles
CCCCCCCCCC[13CH2]C(=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8225026
LogD (pH = 7.4)
2.0633676
Log P
4.478308
Molar Refractivity
58.6796
Polarizability
23.339931
Polar Surface Area
37.3
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation