Molecule

ID:40954

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₂S₂
Molecular Mass
242.3179
Exact Mass
242.01836957
Charge
0
InChI
InChI=1S/C9H10N2O2S2/c1-3-13-9(12)7-6(10)5-4(2)15-11-8(5)14-7/h3,10H2,1-2H3
InChIKey
WRIWXKCVJAGUIR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc2c(c1N)c(sn2)C
Isomeric Smiles
c1(c(c2c(s1)nsc2C)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
19.892498
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1460047
LogD (pH = 7.4)
3.1460054
Log P
3.1460054
Molar Refractivity
61.6064
Polarizability
22.906212
Polar Surface Area
65.21
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