Molecule

ID:16804

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-3-18-14(17)8-15-10(2)12(9-16)11-6-4-5-7-13(11)15/h4-7,9H,3,8H2,1-2H3
InChIKey
JKLASVCYZWSRKV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1c2ccccc2c(c1C)C=O
Isomeric Smiles
c12c(c(c(n1CC(=O)OCC)C)C=O)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.188433
LogD (pH = 7.4)
2.188433
Log P
2.188433
Molar Refractivity
69.3772
Polarizability
27.322647
Polar Surface Area
48.3
Rotatable Bonds
5
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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