Molecule

ID:116379

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₄
Molecular Mass
252.26644
Exact Mass
252.111007
Charge
0
InChI
InChI=1S/C12H16N2O4/c1-2-17-12(16)14-7-5-13(6-8-14)11-4-3-10(9-15)18-11/h3-4,9H,2,5-8H2,1H3
InChIKey
XSMGERWDIPWYMA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCN(CC1)c1ccc(o1)C=O
Isomeric Smiles
c1(N2CCN(C(=O)OCC)CC2)oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.99344265
LogD (pH = 7.4)
0.99344265
Log P
0.99344265
Molar Refractivity
65.4083
Polarizability
24.397627
Polar Surface Area
62.99
Rotatable Bonds
4
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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