Molecule

ID:60115

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂S
Molecular Mass
219.25966
Exact Mass
219.03539953
Charge
0
InChI
InChI=1S/C11H9NO2S/c1-14-10-5-3-2-4-8(10)9-7-15-11(6-13)12-9/h2-7H,1H3
InChIKey
IGGUMKNXVIVDKI-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1csc(n1)C=O
Isomeric Smiles
c1(nc(sc1)C=O)c1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8861825
LogD (pH = 7.4)
2.886183
Log P
2.886183
Molar Refractivity
58.5418
Polarizability
23.484879
Polar Surface Area
39.19
Rotatable Bonds
3
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