Molecule

ID:54649

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O₂S
Molecular Mass
200.25808
Exact Mass
200.06194863
Charge
0
InChI
InChI=1S/C8H12N2O2S/c1-4-12-8(11)7-6(5(2)3)9-10-13-7/h5H,4H2,1-3H3
InChIKey
WKKQOGJHTXSUIQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1snnc1C(C)C
Isomeric Smiles
c1(c(nns1)C(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4296
LogD (pH = 7.4)
2.4296
Log P
2.4296
Molar Refractivity
50.7069
Polarizability
19.079586
Polar Surface Area
52.08
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