Molecule

ID:35852

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-5-3-6(2)8-7(4-5)9(12)14-10(13)11-8/h3-4H,1-2H3,(H,11,13)
InChIKey
ADHBZSJTJJYPLQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(=O)oc(=O)[nH]2
Isomeric Smiles
c12c(=O)oc(=O)[nH]c1c(cc(c2)C)C
Calculated Properties
JChem
Acid pKa
9.526864
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5029123
LogD (pH = 7.4)
2.4998817
Log P
2.502951
Molar Refractivity
51.9087
Polarizability
18.78453
Polar Surface Area
55.4
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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