Molecule

ID:366

General Information
Structure
Loading...
Molecular Formula
C₂₄H₄₅N₃O₃
Molecular Mass
423.6324
Exact Mass
423.34609232
Charge
0
InChI
InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOc1c(OCCN(CC)CC)cccc1OCCN(CC)CC)CC
Isomeric Smiles
O(CCN(CC)CC)c1c(OCCN(CC)CC)cccc1OCCN(CC)CC
Calculated Properties
JChem
LogD (pH = 7.4)
-1.78
LogD (pH = 5.5)
-6.20
Log P
3.70
Rotatable Bonds
18
H Donor
0
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
9.71
Polar Surface Area
37.41
Polarizability
51.52
Molar Refractivity
128.00
LOG S
-3.01
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...