Molecule

ID:76750

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₄S
Molecular Mass
270.0899
Exact Mass
268.93163401
Charge
0
InChI
InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKey
ZSHHRBYVHTVRFK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1Cl)Cl)C(=O)O)N
Calculated Properties
JChem
Acid pKa
2.8004656
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1958032
LogD (pH = 7.4)
-2.0717635
Log P
1.4449488
Molar Refractivity
55.0817
Polarizability
22.077518
Polar Surface Area
97.46
Rotatable Bonds
2
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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