Molecule

ID:63496

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₂S
Molecular Mass
258.2957
Exact Mass
258.04629857
Charge
0
InChI
InChI=1S/C13H10N2O2S/c16-18(17,12-6-2-1-3-7-12)15-10-8-11-5-4-9-14-13(11)15/h1-10H
InChIKey
KEPQQULYWDIKEK-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(n1ccc2c1nccc2)c1ccccc1
Isomeric Smiles
n1cccc2ccn(S(=O)(=O)c3ccccc3)c12
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1511366
LogD (pH = 7.4)
2.151171
Log P
2.1511714
Molar Refractivity
67.9605
Polarizability
27.691153
Polar Surface Area
51.96
Rotatable Bonds
1
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