Molecule

ID:74109

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₂
Molecular Mass
251.27992
Exact Mass
251.09462866
Charge
0
InChI
InChI=1S/C16H13NO2/c1-10-7-8-12-13(9-10)17-16(19)14(15(12)18)11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,19)
InChIKey
WEKPPTVMVCXCNH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)[nH]c(=O)c(c2O)c1ccccc1
Isomeric Smiles
[nH]1c(=O)c(c(c2c1cc(cc2)C)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.906058
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0234053
LogD (pH = 7.4)
2.9074218
Log P
3.0251045
Molar Refractivity
76.6648
Polarizability
28.188465
Polar Surface Area
49.33
Rotatable Bonds
1
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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