Molecule

ID:100467

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃N₂O
Molecular Mass
232.2023496
Exact Mass
232.08234764
Charge
0
InChI
InChI=1S/C10H11F3N2O/c11-10(12,13)8-2-1-3-9(14-8)15-4-6-16-7-5-15/h1-3H,4-7H2
InChIKey
JFICRODZQJYJRN-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(n1)N1CCOCC1)(F)F
Isomeric Smiles
N1(c2nc(ccc2)C(F)(F)F)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5025325
LogD (pH = 7.4)
2.5032637
Log P
2.5032732
Molar Refractivity
53.3194
Polarizability
19.147423
Polar Surface Area
25.36
Rotatable Bonds
2
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