Molecule

ID:58872

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₃
Molecular Mass
247.28968
Exact Mass
247.12084341
Charge
0
InChI
InChI=1S/C14H17NO3/c1-2-18-14(17)13(11-7-4-3-5-8-11)15-10-6-9-12(15)16/h3-5,7-8,13H,2,6,9-10H2,1H3
InChIKey
NJOPOWZATJTRJE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(N1CCCC1=O)c1ccccc1
Isomeric Smiles
C(=O)(C(c1ccccc1)N1C(=O)CCC1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5611814
LogD (pH = 7.4)
1.5611815
Log P
1.5611815
Molar Refractivity
67.1148
Polarizability
26.307247
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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