Molecule

ID:133286

General Information
Structure
MolImage
Molecular Formula
C₂₄H₅₀N₈O₅
Molecular Mass
530.7044
Exact Mass
530.39041674
Charge
0
InChI
InChI=1S/C24H50N8O5/c25-13-5-1-9-17(29)21(33)30-18(10-2-6-14-26)22(34)31-19(11-3-7-15-27)23(35)32-20(24(36)37)12-4-8-16-28/h17-20H,1-16,25-29H2,(H,30,33)(H,31,34)(H,32,35)(H,36,37)
InChIKey
RRBGTUQJDFBWNN-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCCCN)NC(=O)C(CCCCN)N
Isomeric Smiles
C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N
Calculated Properties
JChem
Acid pKa
3.5915086
H Acceptors
10
H Donor
9
LogD (pH = 5.5)
-16.538578
LogD (pH = 7.4)
-13.244931
Log P
-5.4029374
Molar Refractivity
141.6383
Polarizability
56.745766
Polar Surface Area
254.7
Rotatable Bonds
23
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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