Molecule

ID:23667

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₄
Molecular Mass
340.3731
Exact Mass
340.14230713
Charge
0
InChI
InChI=1S/C19H20N2O4/c1-2-21(16-6-4-3-5-7-16)19(25)14-8-10-15(11-9-14)20-17(22)12-13-18(23)24/h3-11H,2,12-13H2,1H3,(H,20,22)(H,23,24)
InChIKey
CZBGOZGFWULGFJ-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1ccc(cc1)NC(=O)CCC(=O)O)c1ccccc1
Isomeric Smiles
C(=O)(N(c1ccccc1)CC)c1ccc(NC(=O)CCC(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.8368158
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.68193156
LogD (pH = 7.4)
-0.89651006
Log P
2.3485777
Molar Refractivity
95.2123
Polarizability
35.70415
Polar Surface Area
86.71
Rotatable Bonds
7
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