Molecule

ID:17268

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c14-10(15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)
InChIKey
DJXUEFGFCMIONN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)Cn1ncnc1
Isomeric Smiles
c1(Cn2cncn2)ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1230226
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.30078265
LogD (pH = 7.4)
-1.9913212
Log P
1.0004842
Molar Refractivity
66.0043
Polarizability
19.971973
Polar Surface Area
68.01
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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