Molecule

ID:11340

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O₂
Molecular Mass
219.23982
Exact Mass
219.10077667
Charge
0
InChI
InChI=1S/C11H13N3O2/c1-12-10(15)6-9-11(16)14-8-5-3-2-4-7(8)13-9/h2-5,9,13H,6H2,1H3,(H,12,15)(H,14,16)
InChIKey
KAUPMSLZEUJSHT-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CC1Nc2ccccc2NC1=O
Isomeric Smiles
N1C(=O)C(Nc2c1cccc2)CC(=O)NC
Calculated Properties
JChem
Acid pKa
13.092252
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.2712903
LogD (pH = 7.4)
-0.27125221
Log P
-0.27125087
Molar Refractivity
61.8039
Polarizability
22.37754
Polar Surface Area
70.23
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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