Molecule

ID:33775

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃O₃
Molecular Mass
207.18606
Exact Mass
207.06439116
Charge
0
InChI
InChI=1S/C9H9N3O3/c1-6-7(5-12-4-2-3-10-12)8(9(13)14)11-15-6/h2-4H,5H2,1H3,(H,13,14)
InChIKey
ZJONGZNJRXNHOC-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(c1Cn1cccn1)C(=O)O
Isomeric Smiles
c1(c(c(on1)C)Cn1nccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6847975
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0883671
LogD (pH = 7.4)
-2.5816126
Log P
0.6129342
Molar Refractivity
63.0499
Polarizability
18.729694
Polar Surface Area
81.15
Rotatable Bonds
3
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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