Molecule

ID:95395

General Information
Structure
MolImage
Molecular Formula
C₉H₈FNO₅
Molecular Mass
229.1619232
Exact Mass
229.03865058
Charge
0
InChI
InChI=1S/C9H8FNO5/c1-15-9(12)5-16-8-4-6(10)2-3-7(8)11(13)14/h2-4H,5H2,1H3
InChIKey
ODNCCKAYVNDMJG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1OCC(=O)OC)F
Isomeric Smiles
[N+](=O)(c1ccc(cc1OCC(=O)OC)F)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.522138
LogD (pH = 7.4)
1.522138
Log P
1.522138
Molar Refractivity
50.916
Polarizability
19.118204
Polar Surface Area
81.35
Rotatable Bonds
5
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