Molecule

ID:105317

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂S
Molecular Mass
239.67814
Exact Mass
238.98077712
Charge
0
InChI
InChI=1S/C10H6ClNO2S/c11-5-1-2-6-7(3-5)12-8(10(13)14)4-9(6)15/h1-4H,(H,12,15)(H,13,14)
InChIKey
KSCOHHUVHWAXLK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(cc2S)C(=O)O
Isomeric Smiles
OC(=O)c1nc2cc(Cl)ccc2c(S)c1
Calculated Properties
JChem
Acid pKa
3.7743926
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7484979
LogD (pH = 7.4)
-1.6807868
Log P
2.8715856
Molar Refractivity
59.6781
Polarizability
24.193241
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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