Molecule

ID:102919

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁FN₂O₅
Molecular Mass
246.1924432
Exact Mass
246.06519968
Charge
0
InChI
InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)
InChIKey
ODKNJVUHOIMIIZ-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O
Isomeric Smiles
OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O
Calculated Properties
JChem
Acid pKa
7.678643
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.3179972
LogD (pH = 7.4)
-1.4962441
Log P
-1.3151612
Molar Refractivity
51.2578
Polarizability
20.081879
Polar Surface Area
99.1
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
References
Bioactivity
Navigation