Molecule

ID:103843

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₄O₆
Molecular Mass
334.36874
Exact Mass
334.18523457
Charge
0
InChI
InChI=1S/C13H26N4O6/c1-7(19)10(15)12(21)17-9(6-18)11(20)16-8(13(22)23)4-2-3-5-14/h7-10,18-19H,2-6,14-15H2,1H3,(H,16,20)(H,17,21)(H,22,23)
InChIKey
IQPWNQRRAJHOKV-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)O)NC(=O)C(NC(=O)C(C(O)C)N)CO
Isomeric Smiles
CC(O)C(N)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3593314
H Acceptors
8
H Donor
7
LogD (pH = 5.5)
-7.7993894
LogD (pH = 7.4)
-6.1479607
Log P
-5.7654166
Molar Refractivity
79.9105
Polarizability
32.082134
Polar Surface Area
188.0
Rotatable Bonds
11
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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