Molecule

ID:78980

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁BrCl₂O₃
Molecular Mass
390.05604
Exact Mass
387.92686157
Charge
0
InChI
InChI=1S/C15H11BrCl2O3/c1-20-14-6-10(7-19)4-11(16)15(14)21-8-9-2-3-12(17)13(18)5-9/h2-7H,8H2,1H3
InChIKey
RBRZYTZCDMGCRW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)c(c(c1)OC)OCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
O(c1c(cc(cc1OC)C=O)Br)Cc1ccc(c(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.0717206
LogD (pH = 7.4)
5.0717206
Log P
5.0717206
Molar Refractivity
87.4134
Polarizability
33.5475
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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