Molecule

ID:75904

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClO₂S₂
Molecular Mass
218.68052
Exact Mass
217.92629902
Charge
0
InChI
InChI=1S/C7H3ClO2S2/c8-4-3-1-2-11-7(3)12-5(4)6(9)10/h1-2H,(H,9,10)
InChIKey
GCQFYYGUNYJMNY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sc2c(c1Cl)ccs2
Isomeric Smiles
s1c2c(cc1)c(c(s2)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.1995075
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1013273
LogD (pH = 7.4)
-0.06644648
Log P
3.3790832
Molar Refractivity
47.2735
Polarizability
18.926565
Polar Surface Area
37.3
Rotatable Bonds
1
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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