Molecule
ID:113424
General Information
Molecular Formula
C₁₃H₁₀N₂O₂
Molecular Mass
226.2307
Exact Mass
226.07422757
Charge
0
InChI
InChI=1S/C13H10N2O2/c16-12-11(14-13(17)15-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H2,14,15,16,17)
InChIKey
AHRDDAGNPCRNSH-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C(N1)c1cccc2c1cccc2
Isomeric Smiles
N1C(=O)C(NC1=O)c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
9.578446
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4756498
LogD (pH = 7.4)
1.4728484
Log P
1.4756857
Molar Refractivity
61.8542
Polarizability
25.03789
Polar Surface Area
58.2
Rotatable Bonds
1
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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