Molecule

ID:23477

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₃
Molecular Mass
314.37888
Exact Mass
314.16304257
Charge
0
InChI
InChI=1S/C18H22N2O3/c1-3-22-10-11-23-17-7-5-4-6-15(17)18(21)20-16-12-14(19)9-8-13(16)2/h4-9,12H,3,10-11,19H2,1-2H3,(H,20,21)
InChIKey
LCLXQOXIZMMSEF-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccccc1C(=O)Nc1cc(N)ccc1C
Isomeric Smiles
C(=O)(c1c(OCCOCC)cccc1)Nc1cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
12.569471
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.8796291
LogD (pH = 7.4)
2.901498
Log P
2.9017873
Molar Refractivity
93.5884
Polarizability
34.575375
Polar Surface Area
73.58
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