Molecule

ID:86221

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)12-7-9-16(10-8-12)14-6-4-3-5-13(14)11-17/h3-6,11-12H,2,7-10H2,1H3
InChIKey
XYGFKYRHCMLPNU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccccc1C=O
Isomeric Smiles
N1(c2ccccc2C=O)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.36722
LogD (pH = 7.4)
2.3695745
Log P
2.3696046
Molar Refractivity
74.9702
Polarizability
28.134726
Polar Surface Area
46.61
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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