Molecule

ID:18633

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₂S
Molecular Mass
154.18634
Exact Mass
154.00885043
Charge
0
InChI
InChI=1S/C7H6O2S/c1-5(9)7-2-6(3-8)4-10-7/h2-4H,1H3
InChIKey
VKJNQKRCLQBBBZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1csc(c1)C(=O)C
Isomeric Smiles
c1(scc(c1)C=O)C(=O)C
Calculated Properties
JChem
Acid pKa
14.799141
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1562771
LogD (pH = 7.4)
1.1562771
Log P
1.1562771
Molar Refractivity
39.9347
Polarizability
14.688534
Polar Surface Area
34.14
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