Molecule

ID:42850

General Information
Structure
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c1-15-10(14)8-2-4-9(5-3-8)13-7-11-6-12-13/h2-7H,1H3
InChIKey
WGTOWCFVKCJKGQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)n1ncnc1
Isomeric Smiles
n1(ncnc1)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3759238
LogD (pH = 7.4)
1.3760204
Log P
1.3760216
Molar Refractivity
55.6191
Polarizability
20.950287
Polar Surface Area
57.01
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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