Molecule

ID:76911

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrO₄
Molecular Mass
291.1384
Exact Mass
290.01537096
Charge
0
InChI
InChI=1S/C11H15BrO4/c1-6-7(12)9(14-3)11(16-5)10(15-4)8(6)13-2/h1-5H3
InChIKey
FQPOTLCIUAYGPN-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)c(OC)c(c(c1OC)Br)C
Isomeric Smiles
Brc1c(c(c(c(c1OC)OC)OC)OC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6247349
LogD (pH = 7.4)
2.6247349
Log P
2.6247349
Molar Refractivity
64.5748
Polarizability
25.092854
Polar Surface Area
36.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation