Molecule

ID:6909

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrF
Molecular Mass
225.0570432
Exact Mass
223.96369041
Charge
0
InChI
InChI=1S/C10H6BrF/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey
VAUJZKBFENPOCH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c2c1cccc2)F
Isomeric Smiles
c1(Br)ccc(F)c2ccccc12
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8741772
LogD (pH = 7.4)
3.8741772
Log P
3.8741772
Molar Refractivity
50.3474
Polarizability
20.203907
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