Molecule

ID:34397

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-7-5-12(16)14-11-4-3-9(6-10(7)11)13-8(2)15/h3-6H,1-2H3,(H,13,15)(H,14,16)
InChIKey
MMGIRICZXUSOEH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc2c(c1)c(C)cc(n2)O
Isomeric Smiles
n1c2c(c(cc1O)C)cc(NC(=O)C)cc2
Calculated Properties
JChem
Acid pKa
11.946107
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1722875
LogD (pH = 7.4)
2.1729043
Log P
2.1729245
Molar Refractivity
62.1779
Polarizability
24.188292
Polar Surface Area
62.22
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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