Molecule

ID:38009

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O₄
Molecular Mass
199.16406
Exact Mass
199.05930578
Charge
0
InChI
InChI=1S/C7H9N3O4/c1-5-8-6(10(12)13)3-9(5)4-7(11)14-2/h3H,4H2,1-2H3
InChIKey
UBPSDJINTHTAGK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cn(c(n1)C)CC(=O)OC
Isomeric Smiles
c1(nc(n(c1)CC(=O)OC)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.35983372
LogD (pH = 7.4)
0.35983565
Log P
0.35983568
Molar Refractivity
46.8421
Polarizability
17.293756
Polar Surface Area
89.94
Rotatable Bonds
4
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
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References
Bioactivity
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