Molecule

ID:48393

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClF₃N₂
Molecular Mass
298.6908096
Exact Mass
298.04846067
Charge
0
InChI
InChI=1S/C14H10ClF3N2/c15-11-7-10(14(16,17)18)8-19-13(11)20-6-5-9-3-1-2-4-12(9)20/h1-4,7-8H,5-6H2
InChIKey
POEANEQEVYSCLJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1N1CCc2c1cccc2)C(F)(F)F
Isomeric Smiles
N1(c2ncc(C(F)(F)F)cc2Cl)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5351305
LogD (pH = 7.4)
4.535411
Log P
4.535414
Molar Refractivity
71.6856
Polarizability
26.054554
Polar Surface Area
16.13
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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