Molecule

ID:38230

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FN₂O₄
Molecular Mass
304.2731232
Exact Mass
304.08593513
Charge
0
InChI
InChI=1S/C15H13FN2O4/c16-12-4-1-10(2-5-12)7-17-15(22)11-3-6-13(19)18(8-11)9-14(20)21/h1-6,8H,7,9H2,(H,17,22)(H,20,21)
InChIKey
XNENDGPCJPIQDO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1cc(ccc1=O)C(=O)NCc1ccc(cc1)F
Isomeric Smiles
c1(cn(c(=O)cc1)CC(=O)O)C(=O)NCc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
3.5500393
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5091704
LogD (pH = 7.4)
-2.9233835
Log P
0.43748364
Molar Refractivity
76.5737
Polarizability
28.41047
Polar Surface Area
86.71
Rotatable Bonds
5
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