Molecule

ID:62269

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅F₃N₂O₄
Molecular Mass
284.2323096
Exact Mass
284.09839163
Charge
0
InChI
InChI=1S/C8H14N2O2.C2HF3O2/c11-8(7-5-9-6-7)10-1-3-12-4-2-10;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7)
InChIKey
FKKFYQFBVRGFBN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.O=C(N1CCOCC1)C1CNC1
Isomeric Smiles
C(=O)(N1CCOCC1)C1CNC1.O=C(O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.430126
LogD (pH = 7.4)
-3.250947
Log P
-1.2751812
Molar Refractivity
44.2554
Polarizability
17.466167
Polar Surface Area
41.57
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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