Molecule

ID:122504

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO₃S
Molecular Mass
273.73588
Exact Mass
273.02264193
Charge
0
InChI
InChI=1S/C11H12ClNO3S/c1-17(15,16)13-5-4-8-6-9(11(14)7-12)2-3-10(8)13/h2-3,6H,4-5,7H2,1H3
InChIKey
AWJIBLWYVHZNLS-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc2c(c1)CCN2S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1c2c(cc(C(=O)CCl)cc2)CC1)C
Calculated Properties
JChem
Acid pKa
15.556413
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7049409
LogD (pH = 7.4)
0.7049409
Log P
0.7049409
Molar Refractivity
66.1035
Polarizability
26.067797
Polar Surface Area
54.45
Rotatable Bonds
2
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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