Molecule

ID:15742

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₂
Molecular Mass
198.26212
Exact Mass
198.13682783
Charge
0
InChI
InChI=1S/C10H18N2O2/c13-10(9-2-1-3-11-8-9)12-4-6-14-7-5-12/h9,11H,1-8H2
InChIKey
GPAQRKAOFPLUCJ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)C1CCCNC1
Isomeric Smiles
N1CC(CCC1)C(=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7279472
LogD (pH = 7.4)
-2.7095149
Log P
-0.5419513
Molar Refractivity
53.6114
Polarizability
21.132917
Polar Surface Area
41.57
Rotatable Bonds
1
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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