Molecule

ID:84298

General Information
Structure
MolImage
Molecular Formula
C₉H₅BrO₂
Molecular Mass
225.0388
Exact Mass
223.9472914
Charge
0
InChI
InChI=1S/C9H5BrO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H
InChIKey
IQIGYNPOESZBDJ-UHFFFAOYSA-N
Canonic Smiles
O=c1c(Br)coc2c1cccc2
Isomeric Smiles
o1c2c(cccc2)c(=O)c(c1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4949741
LogD (pH = 7.4)
2.4949741
Log P
2.4949741
Molar Refractivity
48.8974
Polarizability
18.403131
Polar Surface Area
26.3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation