Molecule

ID:98560

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrClF₃O
Molecular Mass
289.4769096
Exact Mass
287.91643912
Charge
0
InChI
InChI=1S/C8H5BrClF3O/c9-4-5-1-6(10)3-7(2-5)14-8(11,12)13/h1-3H,4H2
InChIKey
HMVSKKRMOPJKLU-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(cc(c1)Cl)OC(F)(F)F
Isomeric Smiles
BrCc1cc(cc(c1)OC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7811394
LogD (pH = 7.4)
4.7811394
Log P
4.7811394
Molar Refractivity
46.7835
Polarizability
19.158175
Polar Surface Area
9.23
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