Molecule

ID:44848

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c1-2-15-11(14)13-6-5-12-9(8-13)10-4-3-7-16-10/h3-4,7,9,12H,2,5-6,8H2,1H3
InChIKey
YNIWHEQLSSKQCX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCNC(C1)c1cccs1
Isomeric Smiles
N1(CC(NCC1)c1cccs1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.28696278
LogD (pH = 7.4)
1.4670587
Log P
1.5543561
Molar Refractivity
62.5596
Polarizability
24.59763
Polar Surface Area
41.57
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