Molecule

ID:89016

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂S
Molecular Mass
179.06696
Exact Mass
177.94107649
Charge
0
InChI
InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
JBISHCXLCGVPGW-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1S)Cl
Isomeric Smiles
Sc1c(cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
4.6844726
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.4924078
LogD (pH = 7.4)
1.8692226
Log P
3.2745423
Molar Refractivity
43.6774
Polarizability
17.15159
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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