Molecule

ID:6923

General Information
Structure
Molecular Formula
C₇H₆BrF
Molecular Mass
189.0249432
Exact Mass
187.96369041
Charge
0
InChI
InChI=1S/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
VXKYOKPNAXNAFU-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C)F
Isomeric Smiles
Brc1ccc(c(c1)C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3981218
LogD (pH = 7.4)
3.3981218
Log P
3.3981218
Molar Refractivity
38.9384
Polarizability
14.6678295
Polar Surface Area
0.0
Rotatable Bonds
0
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
References
Bioactivity
Navigation