Molecule

ID:3433

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₅NO
Molecular Mass
281.4766
Exact Mass
281.27186475
Charge
0
InChI
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9+
InChIKey
FATBGEAMYMYZAF-MDZDMXLPSA-N
Canonic Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)N
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)N
Calculated Properties
JChem
Acid pKa
16.920465
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.9768553
LogD (pH = 7.4)
5.9768558
Log P
5.9768558
Molar Refractivity
89.2244
Polarizability
34.883404
Polar Surface Area
43.09
Rotatable Bonds
15
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
7.19
LOG S
-6.59
Solubility (Water)
7.31e-05 g/l
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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