Molecule

ID:39789

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c1-7-3-2-4-9(12-7)13-5-8(10(14)15)11-6-13/h2-6H,1H3,(H,14,15)
InChIKey
JPPXNBWJJKUHGM-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)n1cnc(c1)C(=O)O
Isomeric Smiles
c1(ncn(c1)c1nc(ccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
0.7518204
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4279119
LogD (pH = 7.4)
-2.6417665
Log P
-1.3691679
Molar Refractivity
63.6387
Polarizability
19.986702
Polar Surface Area
68.01
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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