Molecule

ID:40537

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₂NO₄
Molecular Mass
231.1529864
Exact Mass
231.03431415
Charge
0
InChI
InChI=1S/C9H7F2NO4/c1-2-9(13)16-8-4-7(12(14)15)5(10)3-6(8)11/h3-4H,2H2,1H3
InChIKey
QUJZSZNNEUTLIE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(OC(=O)CC)c(cc1F)F
Isomeric Smiles
c1(c(cc(c(c1)OC(=O)CC)F)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5064306
LogD (pH = 7.4)
2.5064306
Log P
2.5064306
Molar Refractivity
49.5748
Polarizability
18.199175
Polar Surface Area
72.12
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