Molecule

ID:117170

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₂NO₃
Molecular Mass
241.1908664
Exact Mass
241.05504959
Charge
0
InChI
InChI=1S/C11H9F2NO3/c12-8-2-1-6(3-9(8)13)10(15)14-4-7(5-14)11(16)17/h1-3,7H,4-5H2,(H,16,17)
InChIKey
QVUSRSFQVBSZJS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C1)C(=O)c1ccc(c(c1)F)F
Isomeric Smiles
N1(C(=O)c2cc(c(cc2)F)F)CC(C1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3899674
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0447637
LogD (pH = 7.4)
-2.3530068
Log P
1.0524304
Molar Refractivity
54.2345
Polarizability
19.954697
Polar Surface Area
57.61
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