Molecule

ID:122758

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆F₃NO₂
Molecular Mass
263.2561496
Exact Mass
263.11331342
Charge
0
InChI
InChI=1S/C12H16F3NO2/c1-17-10-4-3-9(7-11(10)18-2)5-6-16-8-12(13,14)15/h3-4,7,16H,5-6,8H2,1-2H3
InChIKey
UHWRNUXDCOQKRP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNCC(F)(F)F)ccc1OC
Isomeric Smiles
C(F)(F)(F)CNCCc1cc(c(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.299332
LogD (pH = 7.4)
2.4575682
Log P
2.4600096
Molar Refractivity
62.4375
Polarizability
23.479023
Polar Surface Area
30.49
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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