Molecule

ID:62536

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₈N₂O
Molecular Mass
348.48122
Exact Mass
348.22016353
Charge
0
InChI
InChI=1S/C23H28N2O/c1-3-14-25-22(26)23(12-15-24-16-13-23)17-19-9-5-7-11-21(19)20-10-6-4-8-18(20)2/h3-11,24H,1,12-17H2,2H3,(H,25,26)
InChIKey
KHVOYLUHOXBDEW-UHFFFAOYSA-N
Canonic Smiles
C=CCNC(=O)C1(CCNCC1)Cc1ccccc1c1ccccc1C
Isomeric Smiles
C1(C(=O)NCC=C)(Cc2c(c3c(C)cccc3)cccc2)CCNCC1
Calculated Properties
JChem
Acid pKa
16.050137
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0984012
LogD (pH = 7.4)
1.704313
Log P
4.3232493
Molar Refractivity
108.3313
Polarizability
43.333103
Polar Surface Area
41.13
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