Molecule

ID:22924

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2-7H,13H2,1H3,(H,14,15)
InChIKey
QSUQHAJJMFMPOJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccco1)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1occc1
Calculated Properties
JChem
Acid pKa
11.523913
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8045142
LogD (pH = 7.4)
1.8098011
Log P
1.8098727
Molar Refractivity
63.724
Polarizability
22.71902
Polar Surface Area
68.26
Rotatable Bonds
2
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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