Molecule

ID:77988

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrOS
Molecular Mass
191.04572
Exact Mass
189.90879772
Charge
0
InChI
InChI=1S/C5H3BrOS/c6-5-4(3-7)1-2-8-5/h1-3H
InChIKey
MMEGVQIGIBCTHI-UHFFFAOYSA-N
Canonic Smiles
Brc1sccc1C=O
Isomeric Smiles
s1c(c(cc1)C=O)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4009387
LogD (pH = 7.4)
2.4009387
Log P
2.4009387
Molar Refractivity
36.5305
Polarizability
13.959442
Polar Surface Area
17.07
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