Molecule

ID:77415

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-2-20-13-5-3-11(4-6-13)14(17)16-9-7-12(8-10-16)15(18)19/h3-6,12H,2,7-10H2,1H3,(H,18,19)
InChIKey
ILUWGGAGLHAXCH-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)O
Isomeric Smiles
N1(C(=O)c2ccc(cc2)OCC)CCC(C(=O)O)CC1
Calculated Properties
JChem
Acid pKa
3.9437678
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.020111088
LogD (pH = 7.4)
-1.646976
Log P
1.5434855
Molar Refractivity
74.5235
Polarizability
28.387762
Polar Surface Area
66.84
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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