Molecule

ID:136682

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₃
Molecular Mass
233.2631
Exact Mass
233.10519335
Charge
0
InChI
InChI=1S/C13H15NO3/c15-12-8-4-5-9-14(12)13(16)17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey
LKGMGCSFOUSKCR-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCN1C(=O)OCc1ccccc1
Isomeric Smiles
c1ccc(cc1)COC(=O)N1CCCCC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.197332
LogD (pH = 7.4)
2.197332
Log P
2.197332
Molar Refractivity
62.661
Polarizability
24.470201
Polar Surface Area
46.61
Rotatable Bonds
3
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
References
Bioactivity
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