Molecule

ID:56122

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N₃O₂
Molecular Mass
253.25604
Exact Mass
253.08512661
Charge
0
InChI
InChI=1S/C14H11N3O2/c15-8-1-4-10(5-2-8)17-13(18)11-6-3-9(16)7-12(11)14(17)19/h1-7H,15-16H2
InChIKey
TUXYWZQZGJNBTQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)N
Isomeric Smiles
c1cc(cc2c1C(=O)N(C2=O)c1ccc(cc1)N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.9156483
LogD (pH = 7.4)
0.917186
Log P
0.91720563
Molar Refractivity
73.3899
Polarizability
26.37483
Polar Surface Area
89.42
Rotatable Bonds
1
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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