Molecule

ID:20250

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁Cl₂F₃N₂O
Molecular Mass
349.2198496
Exact Mass
348.09830332
Charge
0
InChI
InChI=1S/C13H19F3N2O.2ClH/c1-3-18(4-2)7-8-19-10-5-6-12(17)11(9-10)13(14,15)16;;/h5-6,9H,3-4,7-8,17H2,1-2H3;2*1H
InChIKey
KDIMWUARKBLYGB-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOc1ccc(c(c1)C(F)(F)F)N)CC.Cl.Cl
Isomeric Smiles
c1c(c(cc(c1)OCCN(CC)CC)C(F)(F)F)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7539392
LogD (pH = 7.4)
0.62597275
Log P
2.5967574
Molar Refractivity
70.7116
Polarizability
25.774086
Polar Surface Area
38.49
Rotatable Bonds
7
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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