Molecule

ID:115140

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₂
Molecular Mass
267.28262
Exact Mass
267.10077667
Charge
0
InChI
InChI=1S/C15H13N3O2/c1-10-4-6-11(7-5-10)9-18-14(19)13-12(17-15(18)20)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,20)
InChIKey
VKSXRFZESOTOBV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Cn1c(=O)[nH]c2c(c1=O)nccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)nccc2)Cc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
10.742568
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0266912
LogD (pH = 7.4)
3.0265086
Log P
3.026696
Molar Refractivity
75.7977
Polarizability
27.784672
Polar Surface Area
62.3
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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