Molecule

ID:53508

General Information
Structure
Molecular Formula
C₁₀H₅BrO₂
Molecular Mass
237.0495
Exact Mass
235.9472914
Charge
0
InChI
InChI=1S/C10H5BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5H
InChIKey
MXWZRRPNVLCHMY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C=CC(=O)C2=O
Isomeric Smiles
C1(=O)c2c(C=CC1=O)cc(cc2)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9750519
LogD (pH = 7.4)
2.9750519
Log P
2.9750519
Molar Refractivity
53.7878
Polarizability
19.761997
Polar Surface Area
34.14
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