Molecule

ID:55941

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-12-10-5-3-2-4-9(10)8(7-13)6-11(12)14/h2-7H,1H3
InChIKey
HMNIMRLJXGFNQG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(=O)n(c2c1cccc2)C
Isomeric Smiles
n1(c(=O)cc(c2c1cccc2)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.79367936
LogD (pH = 7.4)
0.79367936
Log P
0.79367936
Molar Refractivity
53.4689
Polarizability
19.899067
Polar Surface Area
37.38
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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