Molecule

ID:18181

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O
Molecular Mass
251.28322
Exact Mass
251.10586205
Charge
0
InChI
InChI=1S/C15H13N3O/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)12-8-6-11(16)7-9-12/h2-9H,16H2,1H3
InChIKey
VXGAPTMXQBUJMC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1nc(C)c2c(c1=O)cccc2
Isomeric Smiles
n1(nc(c2c(c1=O)cccc2)C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8858409
LogD (pH = 7.4)
1.8877187
Log P
1.8877426
Molar Refractivity
75.371
Polarizability
27.73416
Polar Surface Area
58.69
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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