Molecule

ID:81036

General Information
Structure
Molecular Formula
C₁₁H₁₅ClO₂S
Molecular Mass
246.7536
Exact Mass
246.0481284
Charge
0
InChI
InChI=1S/C11H15ClO2S/c1-6-7(2)9(4)11(15(12,13)14)10(5)8(6)3/h1-5H3
InChIKey
VDBXRBKVRRJRRW-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)c(C)c(c(c1C)S(=O)(=O)Cl)C
Isomeric Smiles
S(=O)(=O)(c1c(c(c(c(c1C)C)C)C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4866557
LogD (pH = 7.4)
4.4866557
Log P
4.4866557
Molar Refractivity
65.4582
Polarizability
25.18729
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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