Molecule

ID:20268

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉F₃N₂O
Molecular Mass
288.3086696
Exact Mass
288.1449479
Charge
0
InChI
InChI=1S/C14H19F3N2O/c15-14(16,17)12-10-11(4-5-13(12)18)20-9-8-19-6-2-1-3-7-19/h4-5,10H,1-3,6-9,18H2
InChIKey
YBGDGKFAXNQDIB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C(F)(F)F)OCCN1CCCCC1
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)OCCN1CCCCC1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.38242316
LogD (pH = 7.4)
1.2773656
Log P
2.7335076
Molar Refractivity
73.3564
Polarizability
26.889656
Polar Surface Area
38.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation