Molecule

ID:89588

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃BrO₃
Molecular Mass
321.16592
Exact Mass
320.00480628
Charge
0
InChI
InChI=1S/C15H13BrO3/c1-18-14-8-7-12(9-13(14)16)10-3-5-11(6-4-10)15(17)19-2/h3-9H,1-2H3
InChIKey
STNMJBRHLHFQIG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ccc(c(c1)Br)OC
Isomeric Smiles
O(C(=O)c1ccc(cc1)c1cc(c(cc1)OC)Br)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2350297
LogD (pH = 7.4)
4.2350297
Log P
4.2350297
Molar Refractivity
77.3055
Polarizability
30.908642
Polar Surface Area
35.53
Rotatable Bonds
4
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