Molecule

ID:21848

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀N₂O₃
Molecular Mass
298.421
Exact Mass
298.22564283
Charge
0
InChI
InChI=1S/C16H30N2O3/c1-2-3-4-5-6-7-8-9-12-21-15(19)13-14-16(20)18-11-10-17-14/h14,17H,2-13H2,1H3,(H,18,20)
InChIKey
BWTLUCLWSUFUIC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCOC(=O)CC1NCCNC1=O
Isomeric Smiles
C1(=O)C(CC(=O)OCCCCCCCCCC)NCCN1
Calculated Properties
JChem
Acid pKa
14.078612
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8945019
LogD (pH = 7.4)
2.5730212
Log P
2.5944707
Molar Refractivity
82.3059
Polarizability
32.974617
Polar Surface Area
67.43
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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