Molecule

ID:68382

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂N₃S
Molecular Mass
220.07912
Exact Mass
218.94247347
Charge
0
InChI
InChI=1S/C6H3Cl2N3S/c1-12-6-10-4(7)3(2-9)5(8)11-6/h1H3
InChIKey
GLOOTGZVAHKTJS-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(Cl)c(c(n1)Cl)C#N
Isomeric Smiles
c1(nc(c(c(n1)Cl)C#N)Cl)SC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8612785
LogD (pH = 7.4)
2.8612785
Log P
2.8612785
Molar Refractivity
52.881
Polarizability
19.33545
Polar Surface Area
49.57
Rotatable Bonds
1
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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