Molecule

ID:40904

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₄S
Molecular Mass
221.274
Exact Mass
221.07217897
Charge
0
InChI
InChI=1S/C8H15NO4S/c1-13-8(10)7-3-5-9(6-4-7)14(2,11)12/h7H,3-6H2,1-2H3
InChIKey
BEZZIYNUEDUKHC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CCC(C(=O)OC)CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.86889267
LogD (pH = 7.4)
-0.86889267
Log P
-0.86889267
Molar Refractivity
51.0113
Polarizability
20.939705
Polar Surface Area
63.68
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