Molecule

ID:97475

General Information
Structure
MolImage
Molecular Formula
C₃H₆F₃N
Molecular Mass
113.0816496
Exact Mass
113.04523386
Charge
0
InChI
InChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
InChIKey
NGZVNONVXYLYQW-UHFFFAOYSA-N
Canonic Smiles
NCCC(F)(F)F
Isomeric Smiles
NCCC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.8006818
LogD (pH = 7.4)
-2.0688345
Log P
0.38699517
Molar Refractivity
19.8207
Polarizability
7.390742
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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