Molecule

ID:3358

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₃
Molecular Mass
216.31716
Exact Mass
216.17254463
Charge
0
InChI
InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChIKey
ZDHCZVWCTKTBRY-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCCCC(=O)O
Isomeric Smiles
C(CCCCCCCCCCC(=O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.63
LogD (pH = 5.5)
2.39
Log P
3.04
Rotatable Bonds
11
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.95
Polar Surface Area
57.53
Polarizability
26.86
Molar Refractivity
60.61
LOG S
-2.91
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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