Molecule

ID:17070

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChIKey
YFZLFMSGZBNUPJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1noc(c1C(=O)O)C
Isomeric Smiles
c1(c(c(on1)C)C(=O)O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.9217796
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2471744
LogD (pH = 7.4)
-0.37023905
Log P
2.8320558
Molar Refractivity
59.4749
Polarizability
23.262312
Polar Surface Area
63.33
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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