Molecule

ID:52851

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₄
Molecular Mass
185.13748
Exact Mass
185.04365572
Charge
0
InChI
InChI=1S/C6H7N3O4/c1-8-3-4(9(11)12)7-5(8)6(10)13-2/h3H,1-2H3
InChIKey
FZSWXFKGZZOIMM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cn(c(n1)C(=O)OC)C
Isomeric Smiles
c1(nc(cn1C)[N+](=O)[O-])C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.79391545
LogD (pH = 7.4)
0.79391545
Log P
0.79391545
Molar Refractivity
42.046
Polarizability
15.479259
Polar Surface Area
87.26
Rotatable Bonds
3
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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