Molecule

ID:25897

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-4-15(5-2)14(17)10-19-12-7-6-11(9-16)8-13(12)18-3/h6-9H,4-5,10H2,1-3H3
InChIKey
BGIJJLSDXQBYJQ-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)COc1ccc(cc1OC)C=O)CC
Isomeric Smiles
C(=O)(N(CC)CC)COc1c(cc(C=O)cc1)OC
Calculated Properties
JChem
Acid pKa
16.58735
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2024144
LogD (pH = 7.4)
1.2024144
Log P
1.2024144
Molar Refractivity
72.7658
Polarizability
27.696144
Polar Surface Area
55.84
Rotatable Bonds
7
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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