Molecule

ID:60960

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-12-6-9(13)11-8-5-3-2-4-7(8)10(12)14/h2-5H,6H2,1H3,(H,11,13)
InChIKey
ZVHUQIMPAVOVTR-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2C(=O)N(C1)C
Isomeric Smiles
C1(=O)c2c(NC(=O)CN1C)cccc2
Calculated Properties
JChem
Acid pKa
12.125691
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.86027753
LogD (pH = 7.4)
0.86026984
Log P
0.86027765
Molar Refractivity
53.2337
Polarizability
19.177626
Polar Surface Area
49.41
Rotatable Bonds
0
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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