Molecule

ID:7826

General Information
Structure
MolImage
Molecular Formula
C₄HBr₃S
Molecular Mass
320.82774
Exact Mass
317.73490703
Charge
0
InChI
InChI=1S/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H
InChIKey
SKDNDSLDRLEELJ-UHFFFAOYSA-N
Canonic Smiles
Brc1sc(c(c1)Br)Br
Isomeric Smiles
c1(cc(sc1Br)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3919377
LogD (pH = 7.4)
4.3919377
Log P
4.3919377
Molar Refractivity
44.352
Polarizability
18.4419
Polar Surface Area
0.0
Rotatable Bonds
0
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