Molecule

ID:74042

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₄O₄
Molecular Mass
294.30642
Exact Mass
294.13280508
Charge
0
InChI
InChI=1S/C13H18N4O4/c18-17(19)11-1-2-12(15-3-7-20-8-4-15)14-13(11)16-5-9-21-10-6-16/h1-2H,3-10H2
InChIKey
FVCHFWZZEKJNOX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1N1CCOCC1)N1CCOCC1
Isomeric Smiles
n1c(c(ccc1N1CCOCC1)[N+](=O)[O-])N1CCOCC1
Calculated Properties
JChem
H Acceptors
7
H Donor
0
LogD (pH = 5.5)
1.6544982
LogD (pH = 7.4)
1.6634442
Log P
1.6635594
Molar Refractivity
78.859
Polarizability
28.351313
Polar Surface Area
83.65
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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