Molecule

ID:134283

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₅
Molecular Mass
356.3725
Exact Mass
356.13722175
Charge
0
InChI
InChI=1S/C19H20N2O5/c22-17(23)12-20-18(24)16(11-14-7-3-1-4-8-14)21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23)
InChIKey
OEIUAJRTESSOCC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Isomeric Smiles
c1ccc(cc1)CC(C(=O)NCC(=O)O)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.6948447
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.33115536
LogD (pH = 7.4)
-1.1726005
Log P
2.1349428
Molar Refractivity
93.5998
Polarizability
36.464752
Polar Surface Area
104.73
Rotatable Bonds
9
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