Molecule

ID:128648

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO₃
Molecular Mass
293.40118
Exact Mass
293.19909373
Charge
0
InChI
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
InChIKey
RGOVYLWUIBMPGK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O
Isomeric Smiles
CCCCCCCCC(=O)NCc1cc(c(cc1)O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
3.82
LogD (pH = 5.5)
3.82
Log P
3.82
Rotatable Bonds
10
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.93
Polar Surface Area
58.56
Polarizability
34.79
Molar Refractivity
84.65
LOG S
-4.52
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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