Molecule

ID:26687

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₂S
Molecular Mass
217.24378
Exact Mass
217.01974947
Charge
0
InChI
InChI=1S/C11H7NO2S/c12-10-9-7(5-15-10)6-3-1-2-4-8(6)14-11(9)13/h1-5H,12H2
InChIKey
FMRIMMNCSVUDBC-UHFFFAOYSA-N
Canonic Smiles
Nc1scc2c1c(=O)oc1c2cccc1
Isomeric Smiles
c12c(csc2N)c2c(oc1=O)cccc2
Calculated Properties
JChem
Acid pKa
17.401567
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6928394
LogD (pH = 7.4)
2.6928394
Log P
2.6928394
Molar Refractivity
57.9052
Polarizability
22.909224
Polar Surface Area
52.32
Rotatable Bonds
0
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