Molecule

ID:115924

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆F₃N₃
Molecular Mass
283.2921496
Exact Mass
283.12963219
Charge
0
InChI
InChI=1S/C14H16F3N3/c15-14(16,17)13-19-11-3-1-2-4-12(11)20(13)9-10-5-7-18-8-6-10/h1-4,10,18H,5-9H2
InChIKey
MZJMNANVRYKNOS-UHFFFAOYSA-N
Canonic Smiles
FC(c1nc2c(n1CC1CCNCC1)cccc2)(F)F
Isomeric Smiles
c1(n(c2c(n1)cccc2)CC1CCNCC1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.38926527
LogD (pH = 7.4)
0.070828356
Log P
2.8429325
Molar Refractivity
70.2905
Polarizability
27.388268
Polar Surface Area
29.85
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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