Molecule

ID:23630

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₅
Molecular Mass
341.35786
Exact Mass
341.12632271
Charge
0
InChI
InChI=1S/C19H19NO5/c21-18(16-8-1-2-9-17(16)19(22)23)20-13-5-3-6-14(11-13)25-12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)(H,22,23)
InChIKey
HQUSBJMZYXBBOH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C(=O)O)Nc1cccc(c1)OCC1CCCO1
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1cc(OCC2OCCC2)ccc1
Calculated Properties
JChem
Acid pKa
2.9102807
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.44002482
LogD (pH = 7.4)
-0.5007126
Log P
2.9836314
Molar Refractivity
93.5656
Polarizability
35.13619
Polar Surface Area
84.86
Rotatable Bonds
6
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