Molecule

ID:18964

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClO₃S
Molecular Mass
262.753
Exact Mass
262.04304302
Charge
0
InChI
InChI=1S/C11H15ClO3S/c1-7(2)9-6-11(16(12,13)14)8(3)5-10(9)15-4/h5-7H,1-4H3
InChIKey
DIDRZYFYDMMUJT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)c(cc1C(C)C)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1C)OC)C(C)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.520308
LogD (pH = 7.4)
3.520308
Log P
3.520308
Molar Refractivity
65.9474
Polarizability
26.118681
Polar Surface Area
43.37
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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