Molecule

ID:99703

General Information
Structure
MolImage
Molecular Formula
C₃H₉BF₄S₂
Molecular Mass
196.0381728
Exact Mass
196.01748557
Charge
0
InChI
InChI=1S/C3H9S2.BF4/c1-4-5(2)3;2-1(3,4)5/h1-3H3;/q+1;-1
InChIKey
LUOOXKXNWLQGLY-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.CS[S+](C)C
Isomeric Smiles
[S+](SC)(C)C.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.13
LogD (pH = 7.4)
-1.13
Log P
-1.13
Molar Refractivity
6.0052
Polarizability
3.1085358
Polar Surface Area
0.0
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
References
Bioactivity
Navigation