Molecule

ID:23616

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀N₂O₅
Molecular Mass
368.3832
Exact Mass
368.13722175
Charge
0
InChI
InChI=1S/C20H20N2O5/c23-18(21-12-15-4-3-11-27-15)13-7-9-14(10-8-13)22-19(24)16-5-1-2-6-17(16)20(25)26/h1-2,5-10,15H,3-4,11-12H2,(H,21,23)(H,22,24)(H,25,26)
InChIKey
IBJHFVGJSRFKRE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)NC(=O)c1ccccc1C(=O)O)NCC1CCCO1
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1ccc(C(=O)NCC2OCCC2)cc1
Calculated Properties
JChem
Acid pKa
2.9104326
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.32797366
LogD (pH = 7.4)
-1.2687436
Log P
2.2156188
Molar Refractivity
101.0775
Polarizability
37.311646
Polar Surface Area
104.73
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