Molecule

ID:68474

General Information
Structure
Molecular Formula
C₇H₄Cl₂N₂S
Molecular Mass
219.09106
Exact Mass
217.9472245
Charge
0
InChI
InChI=1S/C7H4Cl2N2S/c1-3-2-12-5-4(3)10-7(9)11-6(5)8/h2H,1H3
InChIKey
WUXYWALKGQDXFI-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)c(C)cs2
Isomeric Smiles
c1(nc2c(c(n1)Cl)scc2C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.557804
LogD (pH = 7.4)
3.557804
Log P
3.557804
Molar Refractivity
52.0963
Polarizability
20.486992
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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