Molecule

ID:47796

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉F₃N₂
Molecular Mass
260.2985696
Exact Mass
260.15003328
Charge
0
InChI
InChI=1S/C13H19F3N2/c1-3-7-18(8-4-2)12-6-5-10(17)9-11(12)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKey
UWBKJAGQRJIEBQ-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1ccc(cc1C(F)(F)F)N)CCC
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)N(CCC)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7555826
LogD (pH = 7.4)
3.8869102
Log P
3.8888729
Molar Refractivity
69.7059
Polarizability
24.675983
Polar Surface Area
29.26
Rotatable Bonds
6
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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