Molecule

ID:47804

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)13-10-12(20)7-8-15(13)21-9-3-5-11-4-1-2-6-14(11)21/h1-2,4,6-8,10H,3,5,9,20H2
InChIKey
RWWFERHRFFYMLS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)N1CCCc2c1cccc2
Isomeric Smiles
c1(c(N2c3c(CCC2)cccc3)ccc(c1)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1374307
LogD (pH = 7.4)
4.1697984
Log P
4.1702275
Molar Refractivity
78.0256
Polarizability
27.900837
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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