Molecule

ID:56101

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₄O₂
Molecular Mass
232.23858
Exact Mass
232.09602564
Charge
0
InChI
InChI=1S/C11H12N4O2/c12-15-10(16)8-6-13-11(17)14-9(8)7-4-2-1-3-5-7/h1-6,9H,12H2,(H,15,16)(H2,13,14,17)
InChIKey
LXIGTIWGYGDBGM-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1=CNC(=O)NC1c1ccccc1
Isomeric Smiles
N(C(=O)C1=CNC(=O)NC1c1ccccc1)N
Calculated Properties
JChem
Acid pKa
12.406695
H Acceptors
3
H Donor
4
LogD (pH = 5.5)
-0.672797
LogD (pH = 7.4)
-0.67151093
Log P
-0.67149067
Molar Refractivity
62.4034
Polarizability
23.567518
Polar Surface Area
96.25
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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