Molecule

ID:110212

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₅S
Molecular Mass
286.0893
Exact Mass
284.92654863
Charge
0
InChI
InChI=1S/C7H5Cl2NO5S/c8-10(9)4-1-2-5(7(11)12)6(3-4)16(13,14)15/h1-3H,(H,11,12)(H,13,14,15)
InChIKey
HSAUGZBYNGGCOZ-UHFFFAOYSA-N
Canonic Smiles
ClN(c1ccc(c(c1)S(=O)(=O)O)C(=O)O)Cl
Isomeric Smiles
OC(=O)c1ccc(cc1S(=O)(=O)O)N(Cl)Cl
Calculated Properties
JChem
Acid pKa
-3.1371727
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-3.6480613
LogD (pH = 7.4)
-4.9886107
Log P
0.7812686
Molar Refractivity
59.644
Polarizability
22.510246
Polar Surface Area
94.91
Rotatable Bonds
3
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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