Molecule

ID:7293

General Information
Structure
Molecular Formula
C₈H₃F₄N
Molecular Mass
189.1097328
Exact Mass
189.02016198
Charge
0
InChI
InChI=1S/C8H3F4N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
InChIKey
NMWOWGXPPBIZNH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1F)C(F)(F)F
Isomeric Smiles
Fc1c(cccc1C#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
13.272033
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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