Molecule

ID:128823

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆O₃
Molecular Mass
278.38654
Exact Mass
278.18819469
Charge
0
InChI
InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3
InChIKey
CZNLTCTYLMYLHL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)CCc1ccc(c(c1)OC)O
Isomeric Smiles
CCCCCCCC(=O)CCc1cc(c(cc1)O)OC
Calculated Properties
JChem
Acid pKa
9.945876
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.8473153
LogD (pH = 7.4)
4.846105
Log P
4.847331
Molar Refractivity
81.5937
Polarizability
31.937742
Polar Surface Area
46.53
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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