Molecule

ID:36239

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)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10/h1-3,8,10,16-17H,4-7H2
InChIKey
YNGLUJKTMXSDOC-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)NC1CCNCC1)(F)F
Isomeric Smiles
C(c1cc(NC2CCNCC2)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2518605
LogD (pH = 7.4)
-0.5278949
Log P
1.9676306
Molar Refractivity
62.3819
Polarizability
22.512989
Polar Surface Area
24.06
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
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References
Bioactivity
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