Molecule

ID:120932

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂OS
Molecular Mass
195.06636
Exact Mass
193.93599111
Charge
0
InChI
InChI=1S/C6H4Cl2OS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
InChIKey
JRHBEDSUTAGRQV-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc(s1)Cl
Isomeric Smiles
c1(sc(cc1)Cl)C(=O)CCl
Calculated Properties
JChem
Acid pKa
14.147213
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7511592
LogD (pH = 7.4)
2.7511592
Log P
2.7511592
Molar Refractivity
42.0686
Polarizability
16.645185
Polar Surface Area
17.07
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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