Molecule
ID:67177
General Information
Molecular Formula
C₆H₅FN₂O₂
Molecular Mass
156.1145032
Exact Mass
156.03350563
Charge
0
InChI
InChI=1S/C6H5FN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2
InChIKey
OPMFAZASMJCCOQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(F)cc(c1)[N+](=O)[O-]
Isomeric Smiles
Nc1cc(cc(c1)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2270002
LogD (pH = 7.4)
1.227006
Log P
1.227006
Molar Refractivity
37.2953
Polarizability
13.163065
Polar Surface Area
69.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
19.721012
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...