Molecule

ID:122657

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂S
Molecular Mass
233.28624
Exact Mass
233.0510496
Charge
0
InChI
InChI=1S/C12H11NO2S/c1-7(14)11-8(2)16-12(13-11)9-3-5-10(15)6-4-9/h3-6,15H,1-2H3
InChIKey
OBUWFCLXRUFGNP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1sc(c(n1)C(=O)C)C
Isomeric Smiles
n1c(c(sc1c1ccc(cc1)O)C)C(=O)C
Calculated Properties
JChem
Acid pKa
9.293047
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9425054
LogD (pH = 7.4)
2.9371173
Log P
2.9426022
Molar Refractivity
73.436
Polarizability
24.49249
Polar Surface Area
50.19
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