Molecule

ID:115705

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃S₂
Molecular Mass
268.31212
Exact Mass
267.99763413
Charge
0
InChI
InChI=1S/C10H8N2O3S2/c13-8(14)4-6-5-17-10(11-6)12-9(15)7-2-1-3-16-7/h1-3,5H,4H2,(H,13,14)(H,11,12,15)
InChIKey
COFSNHOVGDBKIH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1csc(n1)NC(=O)c1cccs1
Isomeric Smiles
c1(NC(=O)c2sccc2)nc(CC(=O)O)cs1
Calculated Properties
JChem
Acid pKa
3.295019
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.15644522
LogD (pH = 7.4)
-1.117666
Log P
2.3446534
Molar Refractivity
64.0987
Polarizability
23.79402
Polar Surface Area
79.29
Rotatable Bonds
4
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