Molecule

ID:66623

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O₄
Molecular Mass
199.16406
Exact Mass
199.05930578
Charge
0
InChI
InChI=1S/C7H9N3O4/c1-3-14-7(11)6-8-5(10(12)13)4-9(6)2/h4H,3H2,1-2H3
InChIKey
QGTGFMLXIBQONB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cn(c(n1)C(=O)OCC)C
Isomeric Smiles
c1(nc(cn1C)[N+](=O)[O-])C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1507233
LogD (pH = 7.4)
1.1507233
Log P
1.1507233
Molar Refractivity
46.7946
Polarizability
17.280258
Polar Surface Area
87.26
Rotatable Bonds
4
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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