Molecule

ID:43311

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₂O₃
Molecular Mass
224.1372896
Exact Mass
224.04087675
Charge
0
InChI
InChI=1S/C7H7F3N2O3/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)
InChIKey
MWTKTJSKHCDMOW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1oc(nc1C(F)(F)F)N
Isomeric Smiles
c1(c(oc(n1)N)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
Acid pKa
12.846292
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3144447
LogD (pH = 7.4)
1.3144447
Log P
1.3144461
Molar Refractivity
43.1942
Polarizability
15.455646
Polar Surface Area
78.35
Rotatable Bonds
4
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