Molecule

ID:123837

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO₂S
Molecular Mass
238.69008
Exact Mass
237.98552814
Charge
0
InChI
InChI=1S/C11H7ClO2S/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
NOTFXXFIWUZPOO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1ccc(s1)C(=O)O
Isomeric Smiles
c1(sc(cc1)C(=O)O)c1c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
3.34227
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6490172
LogD (pH = 7.4)
0.37488747
Log P
3.7916863
Molar Refractivity
59.9292
Polarizability
24.162548
Polar Surface Area
37.3
Rotatable Bonds
2
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