Molecule

ID:19239

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃F₃N₂O₃
Molecular Mass
324.3392296
Exact Mass
324.16607727
Charge
0
InChI
InChI=1S/C12H22N2O.C2HF3O2/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14;3-2(4,5)1(6)7/h11,13H,1-10H2;(H,6,7)
InChIKey
BYQGXFREFQXVKW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.O=C(N1CCCCCC1)C1CCCNC1
Isomeric Smiles
N1(CCCCCC1)C(=O)C1CCCNC1.OC(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2145128
LogD (pH = 7.4)
-1.1960803
Log P
0.97148395
Molar Refractivity
61.2799
Polarizability
24.10781
Polar Surface Area
32.34
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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