Molecule

ID:31725

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-12-9-5-3-2-4-7(9)8(11(14)15)6-10(12)13/h2-6H,1H3,(H,14,15)
InChIKey
FPUDHXQUWBZZMY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(=O)n(c2c1cccc2)C
Isomeric Smiles
c1(cc(=O)n(c2c1cccc2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1890142
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3353293
LogD (pH = 7.4)
-2.4950633
Log P
0.9522956
Molar Refractivity
54.3943
Polarizability
20.361002
Polar Surface Area
57.61
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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