Molecule

ID:18962

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClO₃S
Molecular Mass
262.753
Exact Mass
262.04304302
Charge
0
InChI
InChI=1S/C11H15ClO3S/c1-11(2,3)9-7-8(16(12,13)14)5-6-10(9)15-4/h5-7H,1-4H3
InChIKey
LJTKLMIMDSOBTG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(C)(C)C)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(C(C)(C)C)c(cc1)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3069339
LogD (pH = 7.4)
3.3069339
Log P
3.3069339
Molar Refractivity
65.3813
Polarizability
26.190315
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation