Molecule

ID:37170

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₄S₂
Molecular Mass
269.72572
Exact Mass
268.95832742
Charge
0
InChI
InChI=1S/C7H8ClNO4S2/c1-9-15(11,12)4-3-5(8)14-6(4)7(10)13-2/h3,9H,1-2H3
InChIKey
XPJZPHCNBFFGDB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(cc1S(=O)(=O)NC)Cl
Isomeric Smiles
c1(c(sc(c1)Cl)C(=O)OC)S(=O)(=O)NC
Calculated Properties
JChem
Acid pKa
8.038087
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4882388
LogD (pH = 7.4)
1.4106609
Log P
1.4893516
Molar Refractivity
55.9925
Polarizability
22.804094
Polar Surface Area
72.47
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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