Molecule

ID:55329

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅F₃N₂O₃
Molecular Mass
268.2329096
Exact Mass
268.10347701
Charge
0
InChI
InChI=1S/C8H14N2O.C2HF3O2/c11-7-5-8(6-10-7)1-3-9-4-2-8;3-2(4,5)1(6)7/h9H,1-6H2,(H,10,11);(H,6,7)
InChIKey
NDPYETUFMCGYFI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.O=C1NCC2(C1)CCNCC2
Isomeric Smiles
C12(CC(=O)NC1)CCNCC2.C(C(=O)O)(F)(F)F
Calculated Properties
JChem
Acid pKa
14.82492
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.1965275
LogD (pH = 7.4)
-3.5083008
Log P
-0.97657984
Molar Refractivity
42.3578
Polarizability
16.74643
Polar Surface Area
41.13
Rotatable Bonds
1
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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