Molecule

ID:38271

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅Cl₂F₃N₄
Molecular Mass
343.1755096
Exact Mass
342.06258652
Charge
0
InChI
InChI=1S/C12H13F3N4.2ClH/c13-12(14,15)10-7-9(8-1-3-16-4-2-8)19-6-5-17-11(19)18-10;;/h5-8,16H,1-4H2;2*1H
InChIKey
VYODXLJNZHIVPJ-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(C2CCNCC2)n2c(n1)ncc2)(F)F.Cl.Cl
Isomeric Smiles
c12n(c(cc(n1)C(F)(F)F)C1CCNCC1)ccn2.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2064242
LogD (pH = 7.4)
-1.5383624
Log P
1.018106
Molar Refractivity
65.7668
Polarizability
23.500223
Polar Surface Area
42.22
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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