Molecule

ID:39885

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c11-10(13-14)8-3-1-7(2-4-8)9-5-12-6-15-9/h1-6,14H,(H2,11,13)
InChIKey
FSHITYCWDSCAQO-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1ccc(cc1)c1ocnc1)\N
Isomeric Smiles
n1coc(c1)c1ccc(/C(=N/O)/N)cc1
Calculated Properties
JChem
Acid pKa
9.0302925
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.3550057
LogD (pH = 7.4)
0.38844338
Log P
0.39965042
Molar Refractivity
54.8033
Polarizability
21.640442
Polar Surface Area
84.64
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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