Molecule

ID:60968

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c1-9-12(10(2)15)8-14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
DPLBGBYVVKEXDZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cn(nc1C)c1ccccc1
Isomeric Smiles
c1(cn(nc1C)c1ccccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
15.140257
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7480035
LogD (pH = 7.4)
1.748081
Log P
1.748082
Molar Refractivity
59.414
Polarizability
22.916363
Polar Surface Area
34.89
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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