Molecule

ID:123636

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₂
Molecular Mass
267.28262
Exact Mass
267.10077667
Charge
0
InChI
InChI=1S/C15H13N3O2/c1-9-8-10(2)18-14(16-9)12(13(17-18)15(19)20)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
InChIKey
ZOXYTRRMQXLSJX-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)n2c(n1)c(c1ccccc1)c(n2)C(=O)O
Isomeric Smiles
c12c(c(nn1c(cc(n2)C)C)C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.078067
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.28268883
LogD (pH = 7.4)
-0.79013646
Log P
2.6745627
Molar Refractivity
85.5352
Polarizability
29.203207
Polar Surface Area
67.49
Rotatable Bonds
2
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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