Molecule

ID:94550

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₇N₂O
Molecular Mass
292.1535024
Exact Mass
292.04466039
Charge
0
InChI
InChI=1S/C9H7F7N2O/c1-4-3-6(18(17-4)5(2)19)7(10,11)8(12,13)9(14,15)16/h3H,1-2H3
InChIKey
ZYDUSKAXWYFIHW-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C
Isomeric Smiles
n1(nc(C)cc1C(C(F)(C(F)(F)F)F)(F)F)C(=O)C
Calculated Properties
JChem
Acid pKa
19.039219
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9277437
LogD (pH = 7.4)
1.9277442
Log P
1.9277442
Molar Refractivity
48.7944
Polarizability
17.620955
Polar Surface Area
34.89
Rotatable Bonds
3
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