Molecule

ID:94049

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂F₃N₂
Molecular Mass
305.1672896
Exact Mass
304.07208857
Charge
0
InChI
InChI=1S/C11H15F3N2.2ClH/c1-16(2)10(7-15)8-3-5-9(6-4-8)11(12,13)14;;/h3-6,10H,7,15H2,1-2H3;2*1H
InChIKey
AZJWIJQUEOEKCG-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)C(F)(F)F)N(C)C.Cl.Cl
Isomeric Smiles
NCC(c1ccc(cc1)C(F)(F)F)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.893586
LogD (pH = 7.4)
0.30250716
Log P
2.0552742
Molar Refractivity
58.1944
Polarizability
21.750853
Polar Surface Area
29.26
Rotatable Bonds
4
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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