Molecule

ID:88620

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₄
Molecular Mass
225.2411
Exact Mass
225.10010797
Charge
0
InChI
InChI=1S/C11H15NO4/c1-11(2,3)16-10(14)12-6-5-8(7-12)9(13)15-4/h5-7H,1-4H3
InChIKey
CTHZHSWSRBKAAA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccn(c1)C(=O)OC(C)(C)C
Isomeric Smiles
n1(cc(cc1)C(=O)OC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.049667
LogD (pH = 7.4)
2.049667
Log P
2.049667
Molar Refractivity
57.5416
Polarizability
22.461142
Polar Surface Area
57.53
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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