Molecule

ID:97879

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆F₃NO
Molecular Mass
271.2781496
Exact Mass
271.1183988
Charge
0
InChI
InChI=1S/C14H16F3NO/c15-14(16,17)13(19)12-6-8-18(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey
IYSGAUZFIVRBGJ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)C1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCC(CC1)C(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.129805
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5903052
LogD (pH = 7.4)
3.1667268
Log P
3.4497075
Molar Refractivity
67.5439
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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