Molecule

ID:27559

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-5-3-6(2)8-7(4-5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
InChIKey
HFZSCCJTJGWTDZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)C(=O)C(=O)N2
Isomeric Smiles
c12c(NC(=O)C1=O)c(cc(c2)C)C
Calculated Properties
JChem
Acid pKa
9.089559
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6282802
LogD (pH = 7.4)
2.6200416
Log P
2.6283863
Molar Refractivity
50.5574
Polarizability
18.063637
Polar Surface Area
46.17
Rotatable Bonds
0
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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