Molecule

ID:95129

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂F₃N₃
Molecular Mass
316.1501696
Exact Mass
315.05168748
Charge
0
InChI
InChI=1S/C11H13ClF3N3.ClH/c12-9-6-8(11(13,14)15)7-17-10(9)18-4-1-2-16-3-5-18;/h6-7,16H,1-5H2;1H
InChIKey
WXTUGWOZOIEXHB-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1N1CCNCCC1)C(F)(F)F.Cl
Isomeric Smiles
n1c(c(cc(c1)C(F)(F)F)Cl)N1CCNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.71494955
LogD (pH = 7.4)
0.34732386
Log P
2.4639993
Molar Refractivity
65.0425
Polarizability
23.688051
Polar Surface Area
28.16
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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