Molecule

ID:8705

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂F₃N
Molecular Mass
318.9165696
Exact Mass
316.86625779
Charge
0
InChI
InChI=1S/C7H4Br2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChIKey
DRSMEHXBOXHXDX-UHFFFAOYSA-N
Canonic Smiles
Nc1c(Br)cc(cc1Br)C(F)(F)F
Isomeric Smiles
Nc1c(Br)cc(C(F)(F)F)cc1Br
Calculated Properties
JChem
Acid pKa
19.086971
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.559619
LogD (pH = 7.4)
3.5596728
Log P
3.5596735
Molar Refractivity
51.9777
Polarizability
19.086481
Polar Surface Area
26.02
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
References
Bioactivity
Navigation