Molecule

ID:88533

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-6-4-8-5-7(10(12)13)2-3-9(8)11-6/h2-5,11H,1H3,(H,12,13)
InChIKey
STRAEOQKYFMDMG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)cc([nH]2)C
Isomeric Smiles
[nH]1c2c(cc(cc2)C(=O)O)cc1C
Calculated Properties
JChem
Acid pKa
3.9782093
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.39873838
LogD (pH = 7.4)
-1.242283
Log P
1.929152
Molar Refractivity
49.5504
Polarizability
19.618668
Polar Surface Area
53.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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