Molecule

ID:96934

General Information
Structure
MolImage
Molecular Formula
C₃H₃F₆N
Molecular Mass
167.0530392
Exact Mass
167.01696842
Charge
0
InChI
InChI=1S/C3H3F6N/c4-2(5,6)1(10)3(7,8)9/h1H,10H2
InChIKey
UHEDJBIYIWUMLU-UHFFFAOYSA-N
Canonic Smiles
NC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
NC(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.720659
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.344484
LogD (pH = 7.4)
1.3445004
Log P
1.3445007
Molar Refractivity
20.4892
Polarizability
7.6975994
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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