Molecule

ID:65932

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-11-8(10)7(9)6-2-4-12-5-3-6/h6-7H,2-5,9H2,1H3/t7-/m0/s1
InChIKey
GLXVKVOENRRZDF-ZETCQYMHSA-N
Canonic Smiles
COC(=O)[C@H](C1CCOCC1)N
Isomeric Smiles
O(C(=O)[C@@H](N)C1CCOCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2945497
LogD (pH = 7.4)
-0.69780993
Log P
-0.36783838
Molar Refractivity
43.8113
Polarizability
17.755844
Polar Surface Area
61.55
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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