Molecule

ID:70885

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂S
Molecular Mass
205.06448
Exact Mass
203.93157443
Charge
0
InChI
InChI=1S/C6H2Cl2N2S/c7-5-3-1-2-11-4(3)6(8)10-9-5/h1-2H
InChIKey
YGYFCYSNQMVWKS-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c2c1scc2)Cl
Isomeric Smiles
c1(c2c(c(nn1)Cl)ccs2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.300272
LogD (pH = 7.4)
2.300272
Log P
2.300272
Molar Refractivity
48.8367
Polarizability
18.71781
Polar Surface Area
25.78
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
Molecule Details
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References
Bioactivity
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