Molecule

ID:53947

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClOS
Molecular Mass
224.70656
Exact Mass
224.00626359
Charge
0
InChI
InChI=1S/C11H9ClOS/c1-6-9-5-8(12)3-4-10(9)14-11(6)7(2)13/h3-5H,1-2H3
InChIKey
FQFYTUVWAHAYMK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(C)c(s2)C(=O)C
Isomeric Smiles
c1(ccc2c(c1)c(c(s2)C(=O)C)C)Cl
Calculated Properties
JChem
Acid pKa
15.079445
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6568236
LogD (pH = 7.4)
3.6568236
Log P
3.6568236
Molar Refractivity
59.431
Polarizability
23.86377
Polar Surface Area
17.07
Rotatable Bonds
1
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