Molecule

ID:133263

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₄O₂
Molecular Mass
304.38736
Exact Mass
304.18992603
Charge
0
InChI
InChI=1S/C16H24N4O2/c1-2-20(10-6-4-3-5-9-17)12-7-8-13-14(11-12)16(22)19-18-15(13)21/h7-8,11H,2-6,9-10,17H2,1H3,(H,18,21)(H,19,22)
InChIKey
BEADQYOTAORBKI-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCN(c1ccc2c(c1)c(=O)[nH][nH]c2=O)CC
Isomeric Smiles
CCN(CCCCCCN)c1ccc2c(c1)c(=O)[nH][nH]c2=O
Calculated Properties
JChem
Acid pKa
13.705205
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.7773639
LogD (pH = 7.4)
-1.354546
Log P
1.2496932
Molar Refractivity
88.4538
Polarizability
32.669006
Polar Surface Area
87.46
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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