Molecule
ID:95618
General Information
Molecular Formula
C₇H₄F₂N₂O₃
Molecular Mass
202.1150664
Exact Mass
202.01899844
Charge
0
InChI
InChI=1S/C7H4F2N2O3/c8-3-1-2-4(11(13)14)6(9)5(3)7(10)12/h1-2H,(H2,10,12)
InChIKey
GJMBOZSWKMBYGA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1F)C(=O)N)F
Isomeric Smiles
[N+](=O)(c1ccc(c(c1F)C(=O)N)F)[O-]
Calculated Properties
JChem
Acid pKa
10.44297
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0492786
LogD (pH = 7.4)
1.0496248
Log P
1.0492742
Molar Refractivity
42.8939
Polarizability
14.856874
Polar Surface Area
88.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...