Molecule

ID:73628

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₄
Molecular Mass
219.19346
Exact Mass
219.05315777
Charge
0
InChI
InChI=1S/C11H9NO4/c1-15-11(14)10-6-9(12-16-10)7-3-2-4-8(13)5-7/h2-6,13H,1H3
InChIKey
HAKTXBBLPRCPDI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1onc(c1)c1cccc(c1)O
Isomeric Smiles
n1c(c2cccc(c2)O)cc(o1)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.537198
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9907401
LogD (pH = 7.4)
1.9876443
Log P
1.9907796
Molar Refractivity
56.1479
Polarizability
22.315336
Polar Surface Area
72.56
Rotatable Bonds
3
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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