Molecule

ID:95508

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂BF₄NS
Molecular Mass
289.0999928
Exact Mass
289.07196367
Charge
0
InChI
InChI=1S/C12H12NS.BF4/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;2-1(3,4)5/h2-10H,1H3;/q+1;-1
InChIKey
YCQYRAIEFZWINA-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.C[n+]1ccc(cc1)Sc1ccccc1
Isomeric Smiles
[n+]1(ccc(cc1)Sc1ccccc1)C.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.9990455
LogD (pH = 7.4)
-0.9990455
Log P
-0.9990455
Molar Refractivity
62.7406
Polarizability
24.11066
Polar Surface Area
3.88
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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