Molecule

ID:111306

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₁NO₃
Molecular Mass
355.55514
Exact Mass
355.30864418
Charge
0
InChI
InChI=1S/C21H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h3-19H2,1-2H3,(H,24,25)
InChIKey
RJYOKYDKKOFLBT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)N(CC(=O)O)C
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.1243777
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.8736076
LogD (pH = 7.4)
3.1806521
Log P
6.264113
Molar Refractivity
103.9858
Polarizability
41.123917
Polar Surface Area
57.61
Rotatable Bonds
18
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
References
Bioactivity
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