Molecule

ID:64901

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂S
Molecular Mass
221.10694
Exact Mass
219.96287456
Charge
0
InChI
InChI=1S/C7H6Cl2N2S/c8-6-4-3-12-2-1-5(4)10-7(9)11-6/h1-3H2
InChIKey
IHJDGIDSEZWIQT-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2CCSCc2c(n1)Cl
Isomeric Smiles
n1c(nc(c2c1CCSC2)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6194704
LogD (pH = 7.4)
2.6194704
Log P
2.6194704
Molar Refractivity
54.3635
Polarizability
20.339119
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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