Molecule

ID:65482

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₂N
Molecular Mass
153.1288064
Exact Mass
153.03900561
Charge
0
InChI
InChI=1S/C8H5F2N/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,8H
InChIKey
IIIPGVXKHUPPJQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)C(F)F
Isomeric Smiles
C(#N)c1cc(ccc1)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.21843
LogD (pH = 7.4)
2.21843
Log P
2.21843
Molar Refractivity
36.8636
Polarizability
13.468587
Polar Surface Area
23.79
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