Molecule

ID:7960

General Information
Structure
Molecular Formula
C₇H₄FN
Molecular Mass
121.1117632
Exact Mass
121.03277735
Charge
0
InChI
InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChIKey
JZTPKAROPNTQQV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)F
Isomeric Smiles
c1c(cccc1F)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.972044
LogD (pH = 7.4)
1.972044
Log P
1.972044
Molar Refractivity
31.996
Polarizability
11.824801
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