Molecule

ID:20247

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆F₃NO
Molecular Mass
259.2674496
Exact Mass
259.1183988
Charge
0
InChI
InChI=1S/C13H16F3NO/c14-13(15,16)11-7-10(5-6-12(11)17)18-8-9-3-1-2-4-9/h5-7,9H,1-4,8,17H2
InChIKey
ICFQDCUMTKHETM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C(F)(F)F)OCC1CCCC1
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)OCC1CCCC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5323875
LogD (pH = 7.4)
3.5341887
Log P
3.5342116
Molar Refractivity
64.3393
Polarizability
23.546833
Polar Surface Area
35.25
Rotatable Bonds
4
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