Molecule

ID:62271

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅F₃N₂O₃
Molecular Mass
268.2329096
Exact Mass
268.10347701
Charge
0
InChI
InChI=1S/C8H14N2O.C2HF3O2/c11-8(7-4-9-5-7)10-3-6-1-2-6;3-2(4,5)1(6)7/h6-7,9H,1-5H2,(H,10,11);(H,6,7)
InChIKey
YLHOWBBRQAGLKB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.O=C(C1CNC1)NCC1CC1
Isomeric Smiles
C(=O)(C1CNC1)NCC1CC1.O=C(O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.949771
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.6548538
LogD (pH = 7.4)
-2.4762123
Log P
-0.49977952
Molar Refractivity
42.2262
Polarizability
16.74643
Polar Surface Area
41.13
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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