Molecule

ID:28316

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₃
Molecular Mass
169.13808
Exact Mass
169.0487411
Charge
0
InChI
InChI=1S/C6H7N3O3/c1-4(10)6-5(9(11)12)3-8(2)7-6/h3H,1-2H3
InChIKey
IPZOMPOVKHIXAL-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c(c1)[N+](=O)[O-])C(=O)C
Isomeric Smiles
c1(c(nn(c1)C)C(=O)C)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
13.675837
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.28458786
LogD (pH = 7.4)
0.28458768
Log P
0.28458792
Molar Refractivity
52.3169
Polarizability
14.695702
Polar Surface Area
80.71
Rotatable Bonds
2
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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