Molecule

ID:67848

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClIN₂S
Molecular Mass
296.51595
Exact Mass
295.86719475
Charge
0
InChI
InChI=1S/C6H2ClIN2S/c7-6-9-1-4-5(10-6)3(8)2-11-4/h1-2H
InChIKey
KOQRTQSXTRRFIK-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc2c(n1)c(I)cs2
Isomeric Smiles
c1(nc2c(cn1)scc2I)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1491053
LogD (pH = 7.4)
3.1491053
Log P
3.1491053
Molar Refractivity
54.5515
Polarizability
22.041142
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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