Molecule

ID:8732

General Information
Structure
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-7H2,1H3
InChIKey
YMSLLIGKMYXCPK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN1CCOCC1
Isomeric Smiles
C(N1CCOCC1)CC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.5450037
LogD (pH = 7.4)
-0.27795577
Log P
-0.16744089
Molar Refractivity
44.6157
Polarizability
17.755844
Polar Surface Area
38.77
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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