Molecule

ID:11722

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₄N
Molecular Mass
165.0883328
Exact Mass
165.02016198
Charge
0
InChI
InChI=1S/C6H3F4N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H
InChIKey
AXHLDFPTUFGBRL-UHFFFAOYSA-N
Canonic Smiles
Fc1cnccc1C(F)(F)F
Isomeric Smiles
c1cncc(c1C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7757962
LogD (pH = 7.4)
1.7761197
Log P
1.7761238
Molar Refractivity
30.0912
Polarizability
10.678525
Polar Surface Area
12.89
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