Molecule

ID:11545

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃S₂
Molecular Mass
282.3387
Exact Mass
282.01328419
Charge
0
InChI
InChI=1S/C11H10N2O3S2/c1-6(14)12-7-2-3-8-9(4-7)18-11(13-8)17-5-10(15)16/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKey
DSRHSCKCDGMHEA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSc1sc2c(n1)ccc(c2)NC(=O)C
Isomeric Smiles
c1(nc2c(s1)cc(NC(=O)C)cc2)SCC(=O)O
Calculated Properties
JChem
Acid pKa
3.9601264
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.28054908
LogD (pH = 7.4)
-1.3522787
Log P
1.8302987
Molar Refractivity
70.4561
Polarizability
27.816698
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