Molecule

ID:40425

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃O₂
Molecular Mass
269.2985
Exact Mass
269.11642674
Charge
0
InChI
InChI=1S/C15H15N3O2/c16-12-6-8-13(9-7-12)18-14(19)10-17-15(20)11-4-2-1-3-5-11/h1-9H,10,16H2,(H,17,20)(H,18,19)
InChIKey
LQXUAYGZHHVIIL-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N)CNC(=O)c1ccccc1
Isomeric Smiles
C(=O)(NCC(=O)Nc1ccc(N)cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.296341
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.1208152
LogD (pH = 7.4)
1.1307926
Log P
1.1309215
Molar Refractivity
79.0954
Polarizability
28.774765
Polar Surface Area
84.22
Rotatable Bonds
4
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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