Molecule

ID:16882

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₃
Molecular Mass
223.61254
Exact Mass
223.00362074
Charge
0
InChI
InChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
InChIKey
COIATTMFFQMKKS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1noc(c1)C(=O)O
Isomeric Smiles
c1(cc(no1)c1ccc(cc1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9245994
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.02166166
LogD (pH = 7.4)
-0.93039715
Log P
2.5524957
Molar Refractivity
54.2027
Polarizability
21.508478
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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