Molecule

ID:10491

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₃N₂O₂
Molecular Mass
222.1644696
Exact Mass
222.0616122
Charge
0
InChI
InChI=1S/C8H9F3N2O2/c9-8(10,11)7(15)13-3-1-2-6(4-13)12-5-14/h6H,1-4H2
InChIKey
GWKIESDMPBYSIK-UHFFFAOYSA-N
Canonic Smiles
O=C=NC1CCCN(C1)C(=O)C(F)(F)F
Isomeric Smiles
C1CC(CN(C1)C(=O)C(F)(F)F)N=C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8008125
LogD (pH = 7.4)
0.8008125
Log P
0.8008125
Molar Refractivity
43.8499
Polarizability
16.185345
Polar Surface Area
49.74
Rotatable Bonds
2
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