Molecule

ID:124962

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₂
Molecular Mass
267.28262
Exact Mass
267.10077667
Charge
0
InChI
InChI=1S/C15H13N3O2/c1-11-6-2-3-7-13(11)18-14(17-8-4-5-9-17)12(10-16-18)15(19)20/h2-10H,1H3,(H,19,20)
InChIKey
WMFVKFUENWFHEX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1n1ncc(c1n1cccc1)C(=O)O
Isomeric Smiles
n1(c(c(cn1)C(=O)O)n1cccc1)c1c(C)cccc1
Calculated Properties
JChem
Acid pKa
3.4368188
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.34024706
LogD (pH = 7.4)
-1.0711186
Log P
2.2479544
Molar Refractivity
85.7228
Polarizability
28.804207
Polar Surface Area
60.05
Rotatable Bonds
3
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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