Molecule

ID:11133

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-7-11(13-10)12(14)15/h2-7,13H,1H3,(H,14,15)
InChIKey
GUGAOFSHCGOMMW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccc([nH]1)C(=O)O
Isomeric Smiles
[nH]1c(ccc1c1ccc(cc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6184392
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.83379513
LogD (pH = 7.4)
-0.62515235
Log P
2.711362
Molar Refractivity
58.0054
Polarizability
23.079659
Polar Surface Area
53.09
Rotatable Bonds
2
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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