Molecule

ID:119074

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-15-9-3-2-7-4-8(6-13)11(14)12-10(7)5-9/h2-6H,1H3,(H,12,14)
InChIKey
VUKFTGRTRKQOKY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)nc(c(c2)C=O)O
Isomeric Smiles
n1c(c(cc2c1cc(cc2)OC)C=O)O
Calculated Properties
JChem
Acid pKa
10.443907
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.626597
LogD (pH = 7.4)
2.6262364
Log P
2.6266239
Molar Refractivity
55.3209
Polarizability
21.95848
Polar Surface Area
59.42
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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