Molecule

ID:62756

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c13-10(12-2-5-14-6-3-12)9-7-11-1-4-15-8-9/h9,11H,1-8H2
InChIKey
UFUITCPJXXXPGY-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)C1CNCCOC1
Isomeric Smiles
C(=O)(N1CCOCC1)C1CNCCOC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.3677917
LogD (pH = 7.4)
-2.9082851
Log P
-1.3221567
Molar Refractivity
55.2989
Polarizability
21.857977
Polar Surface Area
50.8
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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