Molecule

ID:30951

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-14-7-10(8-15)12(13-14)9-3-5-11(16-2)6-4-9/h3-8H,1-2H3
InChIKey
CIWYEGHUTITAFG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1nn(cc1C=O)C
Isomeric Smiles
c1(c(nn(c1)C)c1ccc(cc1)OC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9889795
LogD (pH = 7.4)
1.9890122
Log P
1.9890126
Molar Refractivity
72.7728
Polarizability
24.263515
Polar Surface Area
44.12
Rotatable Bonds
3
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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