Molecule

ID:23620

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂O₄
Molecular Mass
326.34652
Exact Mass
326.12665707
Charge
0
InChI
InChI=1S/C18H18N2O4/c1-11(2)19-16(21)12-6-5-7-13(10-12)20-17(22)14-8-3-4-9-15(14)18(23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKey
RNMNRZYQFPQTPG-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)c1cccc(c1)NC(=O)c1ccccc1C(=O)O)C
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1cc(C(=O)NC(C)C)ccc1
Calculated Properties
JChem
Acid pKa
2.9104016
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.026817309
LogD (pH = 7.4)
-0.9140351
Log P
2.5704129
Molar Refractivity
91.9902
Polarizability
33.640934
Polar Surface Area
95.5
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