Molecule

ID:66280

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂F₃N₂
Molecular Mass
331.2045696
Exact Mass
330.08773864
Charge
0
InChI
InChI=1S/C13H17F3N2.2ClH/c1-9-4-6-18(7-5-9)12-3-2-10(17)8-11(12)13(14,15)16;;/h2-3,8-9H,4-7,17H2,1H3;2*1H
InChIKey
FEHIEDHHFYKBPW-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ccc(cc1C(F)(F)F)N.Cl.Cl
Isomeric Smiles
N1(CCC(CC1)C)c1c(cc(cc1)N)C(F)(F)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1550245
LogD (pH = 7.4)
3.26598
Log P
3.2675974
Molar Refractivity
67.8513
Polarizability
23.972614
Polar Surface Area
29.26
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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