Molecule

ID:124734

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₂
Molecular Mass
267.28262
Exact Mass
267.10077667
Charge
0
InChI
InChI=1S/C15H13N3O2/c19-15(20)13-10-16-18(11-12-6-2-1-3-7-12)14(13)17-8-4-5-9-17/h1-10H,11H2,(H,19,20)
InChIKey
JTKROYWQXJBPBU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnn(c1n1cccc1)Cc1ccccc1
Isomeric Smiles
c1(c(cnn1Cc1ccccc1)C(=O)O)n1cccc1
Calculated Properties
JChem
Acid pKa
3.4902825
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.024897581
LogD (pH = 7.4)
-1.4409077
Log P
1.8322277
Molar Refractivity
95.8359
Polarizability
28.13204
Polar Surface Area
60.05
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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