Molecule

ID:61672

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrF₂O
Molecular Mass
235.0255064
Exact Mass
233.94918322
Charge
0
InChI
InChI=1S/C8H5BrF2O/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
InChIKey
SFUWMFXQRHHPJP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1C(=O)CBr)F
Isomeric Smiles
C(=O)(CBr)c1c(ccc(c1)F)F
Calculated Properties
JChem
Acid pKa
14.438599
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5391362
LogD (pH = 7.4)
2.5391362
Log P
2.5391362
Molar Refractivity
44.6303
Polarizability
16.530552
Polar Surface Area
17.07
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