Molecule

ID:40253

General Information
Structure
Molecular Formula
C₁₇H₂₆O₃
Molecular Mass
278.38654
Exact Mass
278.18819469
Charge
0
InChI
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)
InChIKey
NISAHDHKGPWBEM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCc1ccc(cc1)OCC(=O)O
Isomeric Smiles
C(=O)(COc1ccc(cc1)CCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
3.7846124
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6464698
LogD (pH = 7.4)
2.094147
Log P
5.3635287
Molar Refractivity
80.455
Polarizability
31.691866
Polar Surface Area
46.53
Rotatable Bonds
11
Lipinski's Rule of Five
false
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
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References
Bioactivity
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