Molecule

ID:40288

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₄
Molecular Mass
261.2732
Exact Mass
261.10010797
Charge
0
InChI
InChI=1S/C14H15NO4/c1-3-18-13(16)10-9-15-8-6-5-7-11(15)12(10)14(17)19-4-2/h5-9H,3-4H2,1-2H3
InChIKey
JTTAWMDQYRFFTR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(c1C(=O)OCC)cccc2
Isomeric Smiles
c1(c(c2n(c1)cccc2)C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3303297
LogD (pH = 7.4)
2.3303297
Log P
2.3303297
Molar Refractivity
71.6885
Polarizability
27.400478
Polar Surface Area
57.01
Rotatable Bonds
6
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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