Molecule

ID:28320

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂NO₄S
Molecular Mass
284.11648
Exact Mass
282.94728407
Charge
0
InChI
InChI=1S/C8H7Cl2NO4S/c1-15-8(12)4-2-7(16(11,13)14)6(10)3-5(4)9/h2-3H,1H3,(H2,11,13,14)
InChIKey
ZXSGVNRCYQXHNK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1Cl)Cl)C(=O)OC)N
Calculated Properties
JChem
Acid pKa
8.330501
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7902749
LogD (pH = 7.4)
1.7484256
Log P
1.7908429
Molar Refractivity
59.8508
Polarizability
24.10763
Polar Surface Area
86.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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