Molecule

ID:57299

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrO₄
Molecular Mass
273.08006
Exact Mass
271.96842077
Charge
0
InChI
InChI=1S/C10H9BrO4/c1-14-10(13)6-15-9-3-2-8(11)4-7(9)5-12/h2-5H,6H2,1H3
InChIKey
BGCBNZCJIJRUAY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)COc1ccc(cc1C=O)Br
Isomeric Smiles
c1(c(OCC(=O)OC)ccc(c1)Br)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9207069
LogD (pH = 7.4)
1.9207069
Log P
1.9207069
Molar Refractivity
57.5817
Polarizability
22.18208
Polar Surface Area
52.6
Rotatable Bonds
5
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