Molecule

ID:107487

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₈N₂O₃
Molecular Mass
342.51662
Exact Mass
342.28824309
Charge
0
InChI
InChI=1S/C18H34O2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);(H4,2,3,4)
InChIKey
JLMOROHJHLOTMH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)N.CCCCCCCC/C=C/CCCCCCCC(=O)O
Isomeric Smiles
NC(=O)N.CCCCCCCC/C=C/CCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.155865
LogD (pH = 7.4)
4.4022083
Log P
6.783798
Molar Refractivity
87.4022
Polarizability
34.16541
Polar Surface Area
37.3
Rotatable Bonds
15
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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