Molecule

ID:8839

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)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2
InChIKey
BERRRZOJDANPHE-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Isomeric Smiles
C1CN(CCC1)c1ccc(cc1N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9291875
LogD (pH = 7.4)
2.979892
Log P
2.9805784
Molar Refractivity
63.3027
Polarizability
22.157457
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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