Molecule

ID:21403

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrClF₂O₂S
Molecular Mass
291.4976864
Exact Mass
289.86154642
Charge
0
InChI
InChI=1S/C6H2BrClF2O2S/c7-4-1-3(9)2-5(10)6(4)13(8,11)12/h1-2H
InChIKey
LBDIILUAEZRJMW-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1)Br)S(=O)(=O)Cl
Isomeric Smiles
c1c(cc(c(c1F)S(=O)(=O)Cl)Br)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9737053
LogD (pH = 7.4)
2.9737053
Log P
2.9737053
Molar Refractivity
48.3078
Polarizability
19.265589
Polar Surface Area
34.14
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