Molecule
ID:86231
General Information
Molecular Formula
C₁₁H₁₅NO₄
Molecular Mass
225.2411
Exact Mass
225.10010797
Charge
0
InChI
InChI=1S/C11H15NO4/c1-15-10(13)6-5-9(11(14)16-2)12-7-3-4-8-12/h3-4,7-9H,5-6H2,1-2H3
InChIKey
GEADOYJXWOGGLV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC(n1cccc1)C(=O)OC
Isomeric Smiles
n1(C(C(=O)OC)CCC(=O)OC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2621909
LogD (pH = 7.4)
1.2621909
Log P
1.2621909
Molar Refractivity
56.6206
Polarizability
22.50823
Polar Surface Area
57.53
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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