Molecule

ID:15616

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-13-9-2-3-10-7(5-9)4-8(6-12)11-10/h2-6,11H,1H3
InChIKey
IEHXXJMABHGXCG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc([nH]2)C=O
Isomeric Smiles
c1c(cc2c(c1)[nH]c(c2)C=O)OC
Calculated Properties
JChem
Acid pKa
13.09392
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.54684
LogD (pH = 7.4)
1.5468392
Log P
1.54684
Molar Refractivity
50.0692
Polarizability
19.956211
Polar Surface Area
42.09
Rotatable Bonds
2
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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