Molecule

ID:27416

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₃N₂O₂S
Molecular Mass
275.5401
Exact Mass
273.91373145
Charge
0
InChI
InChI=1S/C6H5Cl3N2O2S/c7-3-1-5(9)6(2-4(3)8)14(12,13)11-10/h1-2,11H,10H2
InChIKey
PDXFRYXZDLBGGJ-UHFFFAOYSA-N
Canonic Smiles
NNS(=O)(=O)c1cc(Cl)c(cc1Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1Cl)Cl)Cl)NN
Calculated Properties
JChem
Acid pKa
7.7447076
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.111982
LogD (pH = 7.4)
2.601203
Log P
2.094935
Molar Refractivity
57.1144
Polarizability
22.98569
Polar Surface Area
72.19
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
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References
Bioactivity
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