Molecule

ID:17351

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃O₃
Molecular Mass
193.15948
Exact Mass
193.0487411
Charge
0
InChI
InChI=1S/C8H7N3O3/c1-11-4-5(3-9-11)7-2-6(8(12)13)10-14-7/h2-4H,1H3,(H,12,13)
InChIKey
UPYDIDCKWXFZJZ-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1)c1onc(c1)C(=O)O
Isomeric Smiles
c1(c2cn(nc2)C)cc(no1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.905001
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2256137
LogD (pH = 7.4)
-2.8352406
Log P
0.376311
Molar Refractivity
58.3013
Polarizability
18.25746
Polar Surface Area
81.15
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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