Molecule

ID:59218

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂N₂S
Molecular Mass
219.09106
Exact Mass
217.9472245
Charge
0
InChI
InChI=1S/C7H4Cl2N2S/c8-3-5-10-4-1-2-12-6(4)7(9)11-5/h1-2H,3H2
InChIKey
LZDCMEOZULXJHX-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(Cl)c2c(n1)ccs2
Isomeric Smiles
c1cc2c(s1)c(nc(n2)CCl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.235905
LogD (pH = 7.4)
3.235905
Log P
3.235905
Molar Refractivity
50.9341
Polarizability
20.391607
Polar Surface Area
25.78
Rotatable Bonds
1
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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