Molecule

ID:23387

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃O₂
Molecular Mass
269.2985
Exact Mass
269.11642674
Charge
0
InChI
InChI=1S/C15H15N3O2/c1-10(19)17-13-6-8-14(9-7-13)18-15(20)11-2-4-12(16)5-3-11/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKey
YLVHXOPGYRZSFR-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)Nc1ccc(cc1)NC(=O)C
Isomeric Smiles
C(=O)(Nc1ccc(NC(=O)C)cc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.373078
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.4729635
LogD (pH = 7.4)
1.4738986
Log P
1.473915
Molar Refractivity
81.1549
Polarizability
28.953423
Polar Surface Area
84.22
Rotatable Bonds
3
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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