Molecule

ID:96042

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅F₃N₂
Molecular Mass
280.2882096
Exact Mass
280.11873315
Charge
0
InChI
InChI=1S/C15H15F3N2/c16-15(17,18)12-6-7-14(13(19)10-12)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9,19H2
InChIKey
YXAWTVXKBSZOCU-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1NCCc1ccccc1)C(F)(F)F
Isomeric Smiles
FC(c1ccc(c(c1)N)NCCc1ccccc1)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4233425
LogD (pH = 7.4)
3.5069036
Log P
3.5080807
Molar Refractivity
76.2935
Polarizability
26.790483
Polar Surface Area
38.05
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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