Molecule

ID:47803

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃F₃N₂
Molecular Mass
278.2723296
Exact Mass
278.10308309
Charge
0
InChI
InChI=1S/C15H13F3N2/c16-15(17,18)12-9-11(19)5-6-14(12)20-8-7-10-3-1-2-4-13(10)20/h1-6,9H,7-8,19H2
InChIKey
CBXYNZKXILJWRT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)N1CCc2c1cccc2
Isomeric Smiles
N1(c2c(C(F)(F)F)cc(cc2)N)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6950102
LogD (pH = 7.4)
3.7252588
Log P
3.7256587
Molar Refractivity
73.4246
Polarizability
26.07593
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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