Molecule

ID:83160

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c1-9-5-3-4-6-12(9)14-10(2)11(8-15)7-13-14/h3-8H,1-2H3
InChIKey
DJZJNNNRWOMSII-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnn(c1C)c1ccccc1C
Isomeric Smiles
n1(c2ccccc2C)ncc(c1C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.484519
LogD (pH = 7.4)
2.484549
Log P
2.4845493
Molar Refractivity
61.1946
Polarizability
22.83876
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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