Molecule

ID:127460

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄F₃N
Molecular Mass
347.4171696
Exact Mass
347.18608443
Charge
0
InChI
InChI=1S/C21H24F3N/c1-14-16-7-4-5-8-18(16)19(9-6-12-25(2)3)20-13-15(21(22,23)24)10-11-17(14)20/h4-5,7-8,10-11,13-14,19H,6,9,12H2,1-3H3
InChIKey
JTAJFHGSVCEPKC-UHFFFAOYSA-N
Canonic Smiles
CN(CCCC1c2ccccc2C(c2c1cc(cc2)C(F)(F)F)C)C
Isomeric Smiles
FC(F)(F)c1ccc2c(c1)C(c1ccccc1C2C)CCCN(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.360879
LogD (pH = 7.4)
3.4382463
Log P
5.79668
Molar Refractivity
97.4028
Polarizability
36.19334
Polar Surface Area
3.24
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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