Molecule

ID:78219

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O₃S
Molecular Mass
216.25748
Exact Mass
216.05686325
Charge
0
InChI
InChI=1S/C8H12N2O3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKey
DOUAEAXZVWSUCT-UHFFFAOYSA-N
Canonic Smiles
CON(S(=O)(=O)c1ccc(cc1)N)C
Isomeric Smiles
Nc1ccc(cc1)S(=O)(=O)N(C)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.34863445
LogD (pH = 7.4)
0.34880355
Log P
0.3488057
Molar Refractivity
54.0599
Polarizability
21.173012
Polar Surface Area
72.63
Rotatable Bonds
2
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