Molecule

ID:100559

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₂O
Molecular Mass
220.9989264
Exact Mass
219.93353316
Charge
0
InChI
InChI=1S/C7H3BrF2O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-3H
InChIKey
IMOLPSNRLZLWQR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1F)F)Br
Isomeric Smiles
O=Cc1c(c(c(cc1)Br)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7399046
LogD (pH = 7.4)
2.7399046
Log P
2.7399046
Molar Refractivity
40.6976
Polarizability
14.8527775
Polar Surface Area
17.07
Rotatable Bonds
1
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