Molecule

ID:19108

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₃
Molecular Mass
233.2631
Exact Mass
233.10519335
Charge
0
InChI
InChI=1S/C13H15NO3/c15-10-11-4-1-2-5-12(11)17-9-8-14-7-3-6-13(14)16/h1-2,4-5,10H,3,6-9H2
InChIKey
JXTAKYWQZDOYQC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCCN1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)CCOc1c(C=O)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0006186
LogD (pH = 7.4)
1.0006187
Log P
1.0006187
Molar Refractivity
64.2908
Polarizability
24.44109
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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