Molecule

ID:99911

General Information
Structure
MolImage
Molecular Formula
C₈H₈BrFO
Molecular Mass
219.0509232
Exact Mass
217.9742551
Charge
0
InChI
InChI=1S/C8H8BrFO/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4H,5H2,1H3
InChIKey
AFJSFTQVPPXCRQ-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1F)OC
Isomeric Smiles
BrCc1c(c(ccc1)OC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7310138
LogD (pH = 7.4)
2.7310138
Log P
2.7310138
Molar Refractivity
45.588
Polarizability
17.20992
Polar Surface Area
9.23
Rotatable Bonds
2
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