Molecule

ID:124281

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11/h1-5H,6H2,(H,14,15)
InChIKey
ICJSJAJWTWPSBD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc(c2c1nccc2)Cl
Isomeric Smiles
c12c(c(OCC(=O)O)ccc1Cl)nccc2
Calculated Properties
JChem
Acid pKa
3.445768
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.034004778
LogD (pH = 7.4)
-1.3480073
Log P
1.8474933
Molar Refractivity
57.3319
Polarizability
23.704557
Polar Surface Area
59.42
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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