Molecule

ID:58401

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c1-7-9(12-15)10(14)13(11-7)8-5-3-2-4-6-8/h2-6,15H,1H3/b12-9-
InChIKey
JHTUXIJDZXONIE-XFXZXTDPSA-N
Canonic Smiles
O/N=C\1/C(=NN(C1=O)c1ccccc1)C
Isomeric Smiles
N1(C(=O)/C(=N\O)/C(=N1)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.4092927
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8874693
LogD (pH = 7.4)
1.5981405
Log P
1.8927658
Molar Refractivity
54.111
Polarizability
20.326876
Polar Surface Area
65.26
Rotatable Bonds
1
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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