Molecule

ID:58883

General Information
Structure
MolImage
Molecular Formula
C₉H₆Br₂S
Molecular Mass
306.01694
Exact Mass
303.85569519
Charge
0
InChI
InChI=1S/C9H6Br2S/c10-5-6-4-7-8(11)2-1-3-9(7)12-6/h1-4H,5H2
InChIKey
FBRWFPLYWOOCEY-UHFFFAOYSA-N
Canonic Smiles
BrCc1sc2c(c1)c(Br)ccc2
Isomeric Smiles
c12c(sc(c1)CBr)cccc2Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5232
LogD (pH = 7.4)
4.5232
Log P
4.5232
Molar Refractivity
59.6554
Polarizability
23.892525
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
暂无数据
点击上传数据
References
Bioactivity
Navigation