Molecule

ID:64014

General Information
Structure
Molecular Formula
C₁₄H₁₆F₃NO
Molecular Mass
271.2781496
Exact Mass
271.1183988
Charge
0
InChI
InChI=1S/C14H16F3NO/c15-14(16,17)13(19)12-7-4-8-18(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey
GAYNMYZCQZOPDY-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)C1CCCN(C1)Cc1ccccc1
Isomeric Smiles
c1(CN2CCCC(C(=O)C(F)(F)F)C2)ccccc1
Calculated Properties
JChem
Acid pKa
12.824952
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5002126
LogD (pH = 7.4)
3.1811483
Log P
3.605615
Molar Refractivity
67.3899
Polarizability
25.147343
Polar Surface Area
20.31
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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