Molecule

ID:59119

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-4-9(5-2)7(10)8(11)12-6-3/h4-6H2,1-3H3
InChIKey
VABKVSWGYZESTA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)N(CC)CC
Isomeric Smiles
C(=O)(C(=O)OCC)N(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8263092
LogD (pH = 7.4)
0.8263092
Log P
0.8263092
Molar Refractivity
45.0691
Polarizability
17.487404
Polar Surface Area
46.61
Rotatable Bonds
5
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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