Molecule

ID:99231

General Information
Structure
MolImage
Molecular Formula
C₇H₃FN₂O₂
Molecular Mass
166.1093232
Exact Mass
166.01785557
Charge
0
InChI
InChI=1S/C7H3FN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H
InChIKey
GPVDTRGEVKDJOI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)cc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(cc(c1)C#N)F)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9120281
LogD (pH = 7.4)
1.9120281
Log P
1.9120281
Molar Refractivity
38.3165
Polarizability
13.857613
Polar Surface Area
66.93
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