Molecule

ID:58704

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-11-8-4-3-7(6-13)5-9(8)12(2)10(11)14/h3-6H,1-2H3
InChIKey
PFRNWHRHGONGPG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)n(C)c(=O)n2C
Isomeric Smiles
c1cc(cc2c1n(c(=O)n2C)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9479105
LogD (pH = 7.4)
0.9479105
Log P
0.9479105
Molar Refractivity
52.8106
Polarizability
19.353365
Polar Surface Area
40.62
Rotatable Bonds
1
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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