Molecule

ID:118909

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)
InChIKey
JNGWGQUYLVSFND-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)NC1(C)c1ccccc1
Isomeric Smiles
N1C(=O)C(NC1=O)(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
9.8253565
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.91895455
LogD (pH = 7.4)
0.91736555
Log P
0.9189748
Molar Refractivity
50.1173
Polarizability
19.395319
Polar Surface Area
58.2
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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