Molecule

ID:97644

General Information
Structure
Molecular Formula
C₇H₃F₄NO₃
Molecular Mass
225.0972328
Exact Mass
225.00490584
Charge
0
InChI
InChI=1S/C7H3F4NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKey
XWFNBCCMBGKMFB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1F)OC(F)(F)F
Isomeric Smiles
Fc1c(cc(cc1)OC(F)(F)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4870436
LogD (pH = 7.4)
3.4870436
Log P
3.4870436
Molar Refractivity
36.6694
Polarizability
14.4325285
Polar Surface Area
55.05
Rotatable Bonds
3
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