Molecule
ID:53575
General Information
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-12-11(14)9-7-10(15-13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14)
InChIKey
MOMKSFSROUJANN-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1noc(c1)c1ccccc1
Isomeric Smiles
c1(noc(c1)c1ccccc1)C(=O)NC
Calculated Properties
JChem
Acid pKa
12.641056
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3651843
LogD (pH = 7.4)
1.3651822
Log P
1.3651844
Molar Refractivity
56.1168
Polarizability
21.94695
Polar Surface Area
55.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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