Molecule

ID:70973

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₃N₃
Molecular Mass
163.1005696
Exact Mass
163.0357318
Charge
0
InChI
InChI=1S/C5H4F3N3/c6-5(7,8)4-10-1-3(9)2-11-4/h1-2H,9H2
InChIKey
LOOGTXVQDBMCOL-UHFFFAOYSA-N
Canonic Smiles
FC(c1ncc(cn1)N)(F)F
Isomeric Smiles
c1(ncc(cn1)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.83871883
LogD (pH = 7.4)
0.8387189
Log P
0.8387189
Molar Refractivity
33.0573
Polarizability
11.168279
Polar Surface Area
51.8
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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