Molecule

ID:5560

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₃
Molecular Mass
216.31716
Exact Mass
216.17254463
Charge
0
InChI
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
InChIKey
MUCMKTPAZLSKTL-LLVKDONJSA-N
Canonic Smiles
CCCCCCCCC[C@H](CC(=O)O)O
Isomeric Smiles
C(CCCCCCC[C@@H](O)CC(=O)O)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.58
LogD (pH = 5.5)
2.36
Log P
3.25
Rotatable Bonds
10
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.67
Polar Surface Area
57.53
Polarizability
26.59
Molar Refractivity
60.20
LOG S
-3.67
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
References
Bioactivity
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