Molecule

ID:25241

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₃N₂
Molecular Mass
244.2561096
Exact Mass
244.11873315
Charge
0
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChIKey
FAFAFWFQFVLXGF-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)CN1CCNCC1)(F)F
Isomeric Smiles
C(c1ccc(CN2CCNCC2)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.937643
LogD (pH = 7.4)
0.39972594
Log P
2.2565627
Molar Refractivity
61.3298
Polarizability
22.867281
Polar Surface Area
15.27
Rotatable Bonds
3
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
References
Bioactivity
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