Molecule

ID:40689

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClOS
Molecular Mass
236.71726
Exact Mass
236.00626359
Charge
0
InChI
InChI=1S/C12H9ClOS/c1-8(14)11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKey
HVTLXJWEZWEMHB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ccc(s1)C(=O)C
Isomeric Smiles
s1c(ccc1c1ccc(cc1)Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
15.013604
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6917508
LogD (pH = 7.4)
3.6917508
Log P
3.6917508
Molar Refractivity
63.0758
Polarizability
25.543383
Polar Surface Area
17.07
Rotatable Bonds
2
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