Molecule

ID:60959

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-6-9(13)12-8-5-3-2-4-7(8)10(14)11-6/h2-6H,1H3,(H,11,14)(H,12,13)
InChIKey
LJONQULKOKMKBR-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2C(=O)NC1C
Isomeric Smiles
C1(=O)NC(C(=O)Nc2c1cccc2)C
Calculated Properties
JChem
Acid pKa
12.040789
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2053657
LogD (pH = 7.4)
1.2053564
Log P
1.2053658
Molar Refractivity
52.8309
Polarizability
19.177773
Polar Surface Area
58.2
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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