Molecule

ID:95167

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂O₄
Molecular Mass
200.1240032
Exact Mass
200.02333487
Charge
0
InChI
InChI=1S/C7H5FN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3
InChIKey
CMIMRMOSIVTUAA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc([N+](=O)[O-])c(cc1C)F
Isomeric Smiles
[N+](=O)(c1c(cc(c(c1)[N+](=O)[O-])F)C)[O-]
Calculated Properties
JChem
Acid pKa
18.702745
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5093374
LogD (pH = 7.4)
2.5093374
Log P
2.5093374
Molar Refractivity
43.9566
Polarizability
15.828192
Polar Surface Area
86.28
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