Molecule

ID:30341

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c1-14(2)12-10(8-15)7-9-5-3-4-6-11(9)13-12/h3-8H,1-2H3
InChIKey
RCRLBHNGTPRGJQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2ccccc2nc1N(C)C
Isomeric Smiles
c1(nc2c(cc1C=O)cccc2)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.466229
LogD (pH = 7.4)
2.5448015
Log P
2.5459042
Molar Refractivity
61.3054
Polarizability
23.688211
Polar Surface Area
33.2
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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