Molecule

ID:12452

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c11-5-6-12-7-9-8-13-10(14-9)3-1-2-4-10/h9,12H,1-8,11H2
InChIKey
GLIHGRNRDIPNDY-UHFFFAOYSA-N
Canonic Smiles
NCCNCC1COC2(O1)CCCC2
Isomeric Smiles
C1CCC2(C1)OC(CO2)CNCCN
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.300404
LogD (pH = 7.4)
-2.0968733
Log P
0.20214574
Molar Refractivity
54.2404
Polarizability
22.131233
Polar Surface Area
56.51
Rotatable Bonds
4
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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