Molecule

ID:104954

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃O₂
Molecular Mass
269.2985
Exact Mass
269.11642674
Charge
0
InChI
InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)
InChIKey
PXOZAFXVEWKXED-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O
Isomeric Smiles
CC(=O)Nc1ccc(cc1)/N=N/c1c(O)ccc(C)c1
Calculated Properties
JChem
Acid pKa
12.374327
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.8267047
LogD (pH = 7.4)
3.8267014
Log P
3.826706
Molar Refractivity
82.2621
Polarizability
28.811468
Polar Surface Area
74.05
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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