Molecule

ID:85288

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrCl₃O₂
Molecular Mass
346.43232
Exact Mass
343.87732454
Charge
0
InChI
InChI=1S/C10H8BrCl3O2/c1-6(15)16-9(10(12,13)14)7-2-4-8(11)5-3-7/h2-5,9H,1H3
InChIKey
LLWNYVYENGFZJG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC(C(Cl)(Cl)Cl)c1ccc(cc1)Br
Isomeric Smiles
O(C(c1ccc(cc1)Br)C(Cl)(Cl)Cl)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0506973
LogD (pH = 7.4)
4.0506973
Log P
4.0506973
Molar Refractivity
69.2729
Polarizability
27.100704
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
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