Molecule

ID:118026

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₃N₂
Molecular Mass
268.2775096
Exact Mass
268.11873315
Charge
0
InChI
InChI=1S/C14H15F3N2/c1-9-6-11(8-18)10(2)19(9)13-5-3-4-12(7-13)14(15,16)17/h3-7H,8,18H2,1-2H3
InChIKey
NVXKJWTVDVZXNX-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)c1cccc(c1)C(F)(F)F)C
Isomeric Smiles
n1(c(cc(c1C)CN)C)c1cc(C(F)(F)F)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7588774
LogD (pH = 7.4)
0.45566294
Log P
2.5908
Molar Refractivity
80.5569
Polarizability
26.149647
Polar Surface Area
30.95
Rotatable Bonds
3
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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