Molecule

ID:62787

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₃
Molecular Mass
200.23494
Exact Mass
200.11609238
Charge
0
InChI
InChI=1S/C9H16N2O3/c12-9(8-7-14-4-1-10-8)11-2-5-13-6-3-11/h8,10H,1-7H2
InChIKey
KWOZDYVBAPLQCD-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)C1COCCN1
Isomeric Smiles
C(=O)(N1CCOCC1)C1NCCOC1
Calculated Properties
JChem
Acid pKa
18.052181
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.844823
LogD (pH = 7.4)
-1.4572061
Log P
-1.2995303
Molar Refractivity
50.2879
Polarizability
20.029446
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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