Molecule

ID:58325

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-2-15-11(14)7-9-12-8-5-3-4-6-10(12)13/h2-9H2,1H3
InChIKey
DRDLVODRPFYVGH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN1CCCCCC1=O
Isomeric Smiles
C1CCN(C(=O)CC1)CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7509013
LogD (pH = 7.4)
0.7509021
Log P
0.7509022
Molar Refractivity
56.6583
Polarizability
22.264418
Polar Surface Area
46.61
Rotatable Bonds
5
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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