Molecule

ID:63344

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂S
Molecular Mass
195.06966
Exact Mass
193.9472245
Charge
0
InChI
InChI=1S/C5H4Cl2N2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3
InChIKey
JATIYCWFOYRIEM-UHFFFAOYSA-N
Canonic Smiles
CSc1ncc(c(n1)Cl)Cl
Isomeric Smiles
n1c(SC)ncc(Cl)c1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.784994
LogD (pH = 7.4)
2.785005
Log P
2.785005
Molar Refractivity
46.0981
Polarizability
17.417974
Polar Surface Area
25.78
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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