Molecule

ID:94050

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇F₃N₂O
Molecular Mass
274.2820896
Exact Mass
274.12929783
Charge
0
InChI
InChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(9-17)18-5-7-19-8-6-18/h1-4,12H,5-9,17H2
InChIKey
JFZRWJJFLWSVCX-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)C(F)(F)F)N1CCOCC1
Isomeric Smiles
N1(CCOCC1)C(c1ccc(cc1)C(F)(F)F)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1136833
LogD (pH = 7.4)
0.29742214
Log P
1.8367739
Molar Refractivity
67.2689
Polarizability
25.439531
Polar Surface Area
38.49
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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