Molecule

ID:17160

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c1-9-6-10(2)14(13-9)12-5-3-4-11(7-12)8-15/h3-8H,1-2H3
InChIKey
UAFUKSXYBLMCCQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)n1nc(cc1C)C
Isomeric Smiles
c1(n2c(cc(n2)C)C)cc(ccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1011844
LogD (pH = 7.4)
2.1024816
Log P
2.102498
Molar Refractivity
60.7449
Polarizability
22.830664
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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