Molecule
ID:76469
General Information
Molecular Formula
C₁₃H₉NO
Molecular Mass
195.21666
Exact Mass
195.06841391
Charge
0
InChI
InChI=1S/C13H9NO/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H,(H2,14,15)
InChIKey
QSBZKDBKJJYXAB-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc2c(c1)c1c2cccc1
Isomeric Smiles
NC(=O)c1cc2c(cc1)c1ccccc21
Calculated Properties
JChem
Acid pKa
14.571094
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.145091
LogD (pH = 7.4)
2.145091
Log P
2.145091
Molar Refractivity
59.3508
Polarizability
24.879555
Polar Surface Area
43.09
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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