Molecule

ID:118922

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁N₅O₂
Molecular Mass
257.24804
Exact Mass
257.09127462
Charge
0
InChI
InChI=1S/C12H11N5O2/c1-16-10-9(11(18)17(2)12(16)19)14-7-4-3-6(13)5-8(7)15-10/h3-5H,13H2,1-2H3
InChIKey
QBLHBGSNDGMZKF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc1c(n2)c(=O)n(c(=O)n1C)C
Isomeric Smiles
n1(c2c(c(=O)n(c1=O)C)nc1c(n2)cc(N)cc1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.3114708
LogD (pH = 7.4)
0.3118987
Log P
0.31190416
Molar Refractivity
67.823
Polarizability
26.048618
Polar Surface Area
92.42
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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