Molecule

ID:133157

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂F₃N₃
Molecular Mass
349.3932896
Exact Mass
349.17658238
Charge
0
InChI
InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2
InChIKey
GAAKALASJNGQKD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(cc(c1)N1CCN(CC1)CCc1ccc(cc1)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1529016
LogD (pH = 7.4)
2.9426095
Log P
3.990466
Molar Refractivity
96.5784
Polarizability
34.919243
Polar Surface Area
32.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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