Molecule

ID:80652

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKey
JNHKHFADRGJMJS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1c(C)n[nH]c1C
Isomeric Smiles
n1c(c(c([nH]1)C)c1ccccc1C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.7266688
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.013505426
LogD (pH = 7.4)
-1.4401947
Log P
1.399637
Molar Refractivity
61.879
Polarizability
23.935268
Polar Surface Area
65.98
Rotatable Bonds
1
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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