Molecule

ID:12371

General Information
Structure
MolImage
Molecular Formula
C₈H₆FN
Molecular Mass
135.1383432
Exact Mass
135.04842742
Charge
0
InChI
InChI=1S/C8H6FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3
InChIKey
BJBXUIUJKPOZLV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1C)F
Isomeric Smiles
c1c(cc(c(c1)C#N)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4854653
LogD (pH = 7.4)
2.4854653
Log P
2.4854653
Molar Refractivity
37.0372
Polarizability
13.583869
Polar Surface Area
23.79
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