Molecule

ID:61763

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁BrO₅
Molecular Mass
303.10604
Exact Mass
301.97898545
Charge
0
InChI
InChI=1S/C11H11BrO5/c1-15-10(13)6-17-9-4-3-7(12)5-8(9)11(14)16-2/h3-5H,6H2,1-2H3
InChIKey
MHPHCMBOWORGFS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)COc1ccc(cc1C(=O)OC)Br
Isomeric Smiles
c1(C(=O)OC)c(OCC(=O)OC)ccc(c1)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2116816
LogD (pH = 7.4)
2.2116816
Log P
2.2116816
Molar Refractivity
63.023
Polarizability
24.753632
Polar Surface Area
61.83
Rotatable Bonds
6
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