Molecule

ID:7529

General Information
Structure
Loading...
Molecular Formula
C₆H₆FN
Molecular Mass
111.1169432
Exact Mass
111.04842742
Charge
0
InChI
InChI=1S/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey
ZBFAXMKJADVOGH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnc(c1)F
Isomeric Smiles
c1cnc(cc1C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8056263
LogD (pH = 7.4)
1.8056273
Log P
1.8056273
Molar Refractivity
30.1734
Polarizability
10.867233
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...