Molecule

ID:48383

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇ClF₃N₃
Molecular Mass
355.7851896
Exact Mass
355.1063099
Charge
0
InChI
InChI=1S/C17H17ClF3N3/c18-15-10-14(17(19,20)21)11-22-16(15)24-8-6-23(7-9-24)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2
InChIKey
LQINVARMIBVUJZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1N1CCN(CC1)Cc1ccccc1)C(F)(F)F
Isomeric Smiles
c1(ncc(C(F)(F)F)cc1Cl)N1CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0914953
LogD (pH = 7.4)
4.3906846
Log P
4.5115604
Molar Refractivity
90.0844
Polarizability
33.10509
Polar Surface Area
19.37
Rotatable Bonds
4
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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