Molecule

ID:54926

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂S
Molecular Mass
205.06448
Exact Mass
203.93157443
Charge
0
InChI
InChI=1S/C6H2Cl2N2S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H
InChIKey
AQECFYPZMBRCIA-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)ccs2
Isomeric Smiles
c1(nc2c(c(n1)Cl)scc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0443828
LogD (pH = 7.4)
3.0443828
Log P
3.0443828
Molar Refractivity
47.0551
Polarizability
18.739944
Polar Surface Area
25.78
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
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Molecule Details
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References
Bioactivity
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