Molecule

ID:104267

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈Cl₂N₄O₃
Molecular Mass
347.28172
Exact Mass
346.15384614
Charge
0
InChI
InChI=1S/C12H26N4O3.2ClH/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14;;/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19);2*1H
InChIKey
LXQFWEBCTJENGB-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)NC(C(=O)O)CCCCN)N.Cl.Cl
Isomeric Smiles
Cl.Cl.NCCCCC(N)C(=O)NC(CCCCN)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8534338
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-9.348163
LogD (pH = 7.4)
-7.1055927
Log P
-3.9674253
Molar Refractivity
72.4191
Polarizability
29.15804
Polar Surface Area
144.46
Rotatable Bonds
11
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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