Molecule

ID:33328

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₄
Molecular Mass
185.13748
Exact Mass
185.04365572
Charge
0
InChI
InChI=1S/C6H7N3O4/c1-7-3-4(9(12)13)5(10)8(2)6(7)11/h3H,1-2H3
InChIKey
SDLBIQNBDPOOPJ-UHFFFAOYSA-N
Canonic Smiles
O=c1n(C)cc(c(=O)n1C)[N+](=O)[O-]
Isomeric Smiles
c1(c(=O)n(c(=O)n(c1)C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.6469506
LogD (pH = 7.4)
-0.6469506
Log P
-0.6469506
Molar Refractivity
42.0564
Polarizability
15.408037
Polar Surface Area
86.44
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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