Molecule

ID:78044

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂S
Molecular Mass
205.06448
Exact Mass
203.93157443
Charge
0
InChI
InChI=1S/C6H2Cl2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKey
FANYVGCAISPJSX-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2nsnc2cc1Cl
Isomeric Smiles
n1c2c(ns1)cc(c(c2)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.324964
LogD (pH = 7.4)
3.3249643
Log P
3.3249643
Molar Refractivity
46.15
Polarizability
18.631508
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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