Molecule

ID:45716

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₃
Molecular Mass
185.2203
Exact Mass
185.10519335
Charge
0
InChI
InChI=1S/C9H15NO3/c11-9(13-8-5-10-6-8)7-1-3-12-4-2-7/h7-8,10H,1-6H2
InChIKey
QUVNLFYFLNEGRT-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCOCC1)OC1CNC1
Isomeric Smiles
C(=O)(OC1CNC1)C1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8454773
LogD (pH = 7.4)
-1.1393569
Log P
-0.13260715
Molar Refractivity
46.5891
Polarizability
18.872074
Polar Surface Area
47.56
Rotatable Bonds
3
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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