Molecule

ID:5946

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈N₂O₃
Molecular Mass
296.40512
Exact Mass
296.20999277
Charge
0
InChI
InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
InChIKey
VEYZCVBECUYIJZ-AWEZNQCLSA-N
Canonic Smiles
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O
Isomeric Smiles
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O
Calculated Properties
JChem
Acid pKa
12.627233
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.222866
LogD (pH = 7.4)
2.2228637
Log P
2.222866
Molar Refractivity
81.5369
Polarizability
31.975117
Polar Surface Area
75.27
Rotatable Bonds
11
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.48
LOG S
-3.68
Solubility (Water)
6.21e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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