Molecule

ID:65385

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄F₃NO₃S
Molecular Mass
261.2618696
Exact Mass
261.06464897
Charge
0
InChI
InChI=1S/C5H11NO2S.C3H3F3O/c7-9(8)4-1-2-6-3-5-9;1-2(7)3(4,5)6/h6H,1-5H2;1H3
InChIKey
JETLZGZALLUUED-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CCNCCC1.CC(=O)C(F)(F)F
Isomeric Smiles
C1CNCCS(=O)(=O)C1.O=C(C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.283468
LogD (pH = 7.4)
-1.501571
Log P
-1.472562
Molar Refractivity
35.5742
Polarizability
14.948934
Polar Surface Area
46.17
Rotatable Bonds
1
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