Molecule

ID:7635

General Information
Structure
Molecular Formula
C₈H₃F₄N
Molecular Mass
189.1097328
Exact Mass
189.02016198
Charge
0
InChI
InChI=1S/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
InChIKey
OGQYJDHTHFAPRN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)cccc1C(F)(F)F
Isomeric Smiles
Fc1cccc(c1C#N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8498924
LogD (pH = 7.4)
2.8498924
Log P
2.8498924
Molar Refractivity
37.9697
Polarizability
13.273395
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