Molecule

ID:136660

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₂
Molecular Mass
217.2637
Exact Mass
217.11027873
Charge
0
InChI
InChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2
InChIKey
LLRZWESXFFNSKX-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC=C1)OCc1ccccc1
Isomeric Smiles
c1ccc(cc1)COC(=O)N1CCCC=C1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6231732
LogD (pH = 7.4)
2.6231732
Log P
2.6231732
Molar Refractivity
62.7306
Polarizability
24.142948
Polar Surface Area
29.54
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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