Molecule

ID:101221

General Information
Structure
MolImage
Molecular Formula
C₉H₄BrClOS
Molecular Mass
275.54946
Exact Mass
273.88547543
Charge
0
InChI
InChI=1S/C9H4BrClOS/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H
InChIKey
LRYLQGGHNAOVLT-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)cc(s2)C(=O)Cl
Isomeric Smiles
c1(sc2c(c1)cc(cc2)Br)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9413753
LogD (pH = 7.4)
3.9413753
Log P
3.9413753
Molar Refractivity
57.9197
Polarizability
23.109926
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