Molecule

ID:47667

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇F₃N₂
Molecular Mass
258.2826896
Exact Mass
258.13438321
Charge
0
InChI
InChI=1S/C13H17F3N2/c14-13(15,16)10-5-6-12(11(17)9-10)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,17H2
InChIKey
QZWMLICXQMNDKW-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1N1CCCCCC1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(N2CCCCCC2)cc1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2995117
LogD (pH = 7.4)
3.4233162
Log P
3.425147
Molar Refractivity
67.9037
Polarizability
23.973232
Polar Surface Area
29.26
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
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References
Bioactivity
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