Molecule

ID:82685

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClOS₂
Molecular Mass
260.80332
Exact Mass
260.00963472
Charge
0
InChI
InChI=1S/C11H13ClOS2/c1-11(2)4-6-8(7(13)5-11)10(14-3)15-9(6)12/h4-5H2,1-3H3
InChIKey
BXLYJKVZYWNDKK-UHFFFAOYSA-N
Canonic Smiles
CSc1sc(c2c1C(=O)CC(C2)(C)C)Cl
Isomeric Smiles
s1c(c2c(c1Cl)CC(CC2=O)(C)C)SC
Calculated Properties
JChem
Acid pKa
16.888765
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.212887
LogD (pH = 7.4)
4.212887
Log P
4.212887
Molar Refractivity
66.3397
Polarizability
26.221556
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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