Molecule

ID:61890

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h4-7H,3H2,1-2H3
InChIKey
IRZHLIWGVQPMHU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2ccccc2nc1C
Isomeric Smiles
c1(nc2c(nc1C)cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9765742
LogD (pH = 7.4)
1.9765837
Log P
1.9765838
Molar Refractivity
58.4438
Polarizability
24.092783
Polar Surface Area
52.08
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
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Molecule Details
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References
Bioactivity
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