Molecule

ID:94348

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₃NO
Molecular Mass
153.1024496
Exact Mass
153.04014848
Charge
0
InChI
InChI=1S/C5H6F3NO/c6-5(7,8)4-10-3-1-2-9/h1,3-4H2
InChIKey
QGICCSXJVXICAY-UHFFFAOYSA-N
Canonic Smiles
N#CCCOCC(F)(F)F
Isomeric Smiles
O(CC(F)(F)F)CCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.85259056
LogD (pH = 7.4)
0.85259056
Log P
0.85259056
Molar Refractivity
28.2259
Polarizability
10.203347
Polar Surface Area
33.02
Rotatable Bonds
4
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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