Molecule

ID:37540

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey
JYFGIESQUYQLGM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1=O)Cc1ccccc1
Isomeric Smiles
C1N(CCC(C1=O)C(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
9.195676
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3162131
LogD (pH = 7.4)
2.4113684
Log P
2.1866353
Molar Refractivity
72.9411
Polarizability
28.534418
Polar Surface Area
46.61
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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