Molecule

ID:30663

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂O₃S
Molecular Mass
253.06268
Exact Mass
251.91631829
Charge
0
InChI
InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H
InChIKey
BPPRLMZEVZSIIJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1non2)S(=O)(=O)Cl
Isomeric Smiles
c1(c2c(non2)c(cc1)Cl)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8736162
LogD (pH = 7.4)
1.8736162
Log P
1.8736162
Molar Refractivity
51.1338
Polarizability
21.152384
Polar Surface Area
73.06
Rotatable Bonds
1
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
References
Bioactivity
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