Molecule

ID:52544

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₈N₂O
Molecular Mass
298.50712
Exact Mass
298.29841385
Charge
0
InChI
InChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h2-17,19H2,1H3,(H,20,21)
InChIKey
BYTFESSQUGDMQQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)NN
Isomeric Smiles
C(=O)(CCCCCCCCCCCCCCCCC)NN
Calculated Properties
JChem
Acid pKa
13.358329
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.039748
LogD (pH = 7.4)
6.042269
Log P
6.0423017
Molar Refractivity
92.5919
Polarizability
36.53815
Polar Surface Area
55.12
Rotatable Bonds
16
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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