Molecule

ID:64654

General Information
Structure
MolImage
Molecular Formula
C₅HCl₂N₃S
Molecular Mass
206.05254
Exact Mass
204.92682341
Charge
0
InChI
InChI=1S/C5HCl2N3S/c6-3-2-4(11-1-8-2)10-5(7)9-3/h1H
InChIKey
XYBGDWLYHQAUQM-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)scn2
Isomeric Smiles
n1c2c(c(nc1Cl)Cl)ncs2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2901957
LogD (pH = 7.4)
2.2901957
Log P
2.2901957
Molar Refractivity
45.1103
Polarizability
17.331755
Polar Surface Area
38.67
Rotatable Bonds
0
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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