Molecule

ID:134073

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆O₃
Molecular Mass
230.34374
Exact Mass
230.18819469
Charge
0
InChI
InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-11-16-12-10-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey
ZYLHDTBQHXSLEZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCOCCC(=O)O
Isomeric Smiles
CCCCCCCCCCOCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.60051
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8808296
LogD (pH = 7.4)
1.1048427
Log P
3.8308566
Molar Refractivity
65.2761
Polarizability
25.876818
Polar Surface Area
46.53
Rotatable Bonds
12
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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