Molecule

ID:47676

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅F₃N₂
Molecular Mass
292.2989096
Exact Mass
292.11873315
Charge
0
InChI
InChI=1S/C16H15F3N2/c17-16(18,19)13-5-6-15(14(20)9-13)21-8-7-11-3-1-2-4-12(11)10-21/h1-6,9H,7-8,10,20H2
InChIKey
AHIFAQQLUMZAGP-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1N1CCc2c(C1)cccc2)C(F)(F)F
Isomeric Smiles
N1(c2c(cc(C(F)(F)F)cc2)N)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8924432
LogD (pH = 7.4)
3.894547
Log P
3.894574
Molar Refractivity
79.0829
Polarizability
27.901257
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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