Molecule

ID:24504

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O₂
Molecular Mass
174.24072
Exact Mass
174.13682783
Charge
0
InChI
InChI=1S/C8H18N2O2/c1-9-8(11)4-6-10-5-3-7-12-2/h10H,3-7H2,1-2H3,(H,9,11)
InChIKey
MEIHFESSCGSKMO-UHFFFAOYSA-N
Canonic Smiles
COCCCNCCC(=O)NC
Isomeric Smiles
C(=O)(CCNCCCOC)NC
Calculated Properties
JChem
Acid pKa
16.312021
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.243066
LogD (pH = 7.4)
-3.2877352
Log P
-1.0481647
Molar Refractivity
48.1052
Polarizability
18.901976
Polar Surface Area
50.36
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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