Molecule

ID:70920

General Information
Structure
MolImage
Molecular Formula
C₅H₃FN₂O₂
Molecular Mass
142.0879232
Exact Mass
142.01785557
Charge
0
InChI
InChI=1S/C5H3FN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H
InChIKey
CGFYNRVHPARGFY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(nc1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cn1)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4327171
LogD (pH = 7.4)
1.4327171
Log P
1.4327171
Molar Refractivity
30.7515
Polarizability
11.204951
Polar Surface Area
56.03
Rotatable Bonds
1
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