Molecule

ID:26231

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₄
Molecular Mass
237.2518
Exact Mass
237.10010797
Charge
0
InChI
InChI=1S/C12H15NO4/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2/h5-7H,3-4,13H2,1-2H3
InChIKey
VQRVPAXIXNQFHI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(N)cc(c1)C(=O)OCC
Isomeric Smiles
c1(C(=O)OCC)cc(C(=O)OCC)cc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8648554
LogD (pH = 7.4)
1.8648893
Log P
1.8648897
Molar Refractivity
64.3062
Polarizability
24.027733
Polar Surface Area
78.62
Rotatable Bonds
6
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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