Molecule

ID:124161

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₃
Molecular Mass
219.19676
Exact Mass
219.06439116
Charge
0
InChI
InChI=1S/C10H9N3O3/c14-7-4-2-1-3-6(7)10-11-8(12-13-10)5-9(15)16/h1-4,14H,5H2,(H,15,16)(H,11,12,13)
InChIKey
VJZFDAQCQACUFP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1[nH]nc(n1)c1ccccc1O
Isomeric Smiles
c1(nc([nH]n1)CC(=O)O)c1c(O)cccc1
Calculated Properties
JChem
Acid pKa
3.7880383
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.040585924
LogD (pH = 7.4)
-1.5717442
Log P
1.7564374
Molar Refractivity
67.0963
Polarizability
21.378685
Polar Surface Area
99.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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