Molecule

ID:19203

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₃S
Molecular Mass
260.73712
Exact Mass
260.02739296
Charge
0
InChI
InChI=1S/C11H13ClO3S/c1-11(2)6-5-8-7-9(16(12,13)14)3-4-10(8)15-11/h3-4,7H,5-6H2,1-2H3
InChIKey
UUQKIRXYJVLZAJ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CCc2c(O1)ccc(c2)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc2c(OC(CC2)(C)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9434865
LogD (pH = 7.4)
2.9434865
Log P
2.9434865
Molar Refractivity
63.683
Polarizability
25.477402
Polar Surface Area
43.37
Rotatable Bonds
1
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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