Molecule

ID:94598

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀F₃N
Molecular Mass
141.1348096
Exact Mass
141.07653399
Charge
0
InChI
InChI=1S/C5H10F3N/c1-3(2)4(9)5(6,7)8/h3-4H,9H2,1-2H3
InChIKey
YGGUXSPKQBCCRM-UHFFFAOYSA-N
Canonic Smiles
NC(C(F)(F)F)C(C)C
Isomeric Smiles
NC(C(F)(F)F)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2617857
LogD (pH = 7.4)
1.6263547
Log P
1.6337076
Molar Refractivity
28.7833
Polarizability
10.893896
Polar Surface Area
26.02
Rotatable Bonds
2
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
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References
Bioactivity
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