Molecule

ID:64788

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂S
Molecular Mass
205.06448
Exact Mass
203.93157443
Charge
0
InChI
InChI=1S/C6H2Cl2N2S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H
InChIKey
HRXNGIQKOWQHCX-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)scc2
Isomeric Smiles
n1c(Cl)c2c(nc1Cl)scc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0259945
LogD (pH = 7.4)
3.0259945
Log P
3.0259945
Molar Refractivity
47.3797
Polarizability
18.110962
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
No Data Available
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Molecule Details
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References
Bioactivity
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