Molecule

ID:70169

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrF₃NO₂
Molecular Mass
284.0300096
Exact Mass
282.94557507
Charge
0
InChI
InChI=1S/C8H5BrF3NO2/c1-15-7(14)6-5(8(10,11)12)2-4(9)3-13-6/h2-3H,1H3
InChIKey
YRYMNZJJAFOWHH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncc(cc1C(F)(F)F)Br
Isomeric Smiles
c1(c(cc(cn1)Br)C(F)(F)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5915012
LogD (pH = 7.4)
2.5915017
Log P
2.5915017
Molar Refractivity
49.1509
Polarizability
18.474731
Polar Surface Area
39.19
Rotatable Bonds
3
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