Molecule

ID:47799

General Information
Structure
Molecular Formula
C₁₅H₁₅F₃N₂
Molecular Mass
280.2882096
Exact Mass
280.11873315
Charge
0
InChI
InChI=1S/C15H15F3N2/c1-20(10-11-5-3-2-4-6-11)14-8-7-12(19)9-13(14)15(16,17)18/h2-9H,10,19H2,1H3
InChIKey
YPEYYWJONQFGTC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)N(Cc1ccccc1)C
Isomeric Smiles
c1(C(F)(F)F)c(N(Cc2ccccc2)C)ccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.750521
LogD (pH = 7.4)
3.8532035
Log P
3.8546853
Molar Refractivity
75.7733
Polarizability
26.859074
Polar Surface Area
29.26
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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