Molecule

ID:99432

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃N
Molecular Mass
175.1510296
Exact Mass
175.06088392
Charge
0
InChI
InChI=1S/C8H8F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3
InChIKey
UTUYWZJPVLDHJJ-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cc1)C(F)(F)F
Isomeric Smiles
N(c1ccc(cc1)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2814121
LogD (pH = 7.4)
2.323311
Log P
2.3238723
Molar Refractivity
42.2255
Polarizability
14.450714
Polar Surface Area
12.03
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
References
Bioactivity
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