Molecule

ID:11593

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇F₃N₂O₄
Molecular Mass
334.2909896
Exact Mass
334.11404169
Charge
0
InChI
InChI=1S/C12H16N2O2.C2HF3O2/c1-16-11-5-3-2-4-10(11)12(15)14-8-6-13-7-9-14;3-2(4,5)1(6)7/h2-5,13H,6-9H2,1H3;(H,6,7)
InChIKey
CTCZGYSJAXMWID-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.COc1ccccc1C(=O)N1CCNCC1
Isomeric Smiles
c1ccc(c(c1)C(=O)N1CCNCC1)OC.O=C(O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6963718
LogD (pH = 7.4)
0.017518232
Log P
0.5776386
Molar Refractivity
62.1484
Polarizability
23.843956
Polar Surface Area
41.57
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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