Molecule

ID:97979

General Information
Structure
MolImage
Molecular Formula
C₂H₃BF₃N
Molecular Mass
108.8581296
Exact Mass
109.03106416
Charge
0
InChI
InChI=1S/C2H3N.BF3/c1-2-3;2-1(3)4/h1H3;
InChIKey
MEMUCXUKCBNISQ-UHFFFAOYSA-N
Canonic Smiles
FB(F)F.CC#N
Isomeric Smiles
B(F)(F)F.N#CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.5525
LogD (pH = 7.4)
0.5525
Log P
0.5525
Molar Refractivity
4.5039
Polarizability
2.6677341
Polar Surface Area
0.0
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