Molecule

ID:16989

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₂
Molecular Mass
219.27958
Exact Mass
219.12592879
Charge
0
InChI
InChI=1S/C13H17NO2/c1-16-13-5-4-11(10-15)8-12(13)9-14-6-2-3-7-14/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKey
OYSJRUKZNDBZIZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1CCCC1)C=O
Isomeric Smiles
c1(CN2CCCC2)c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.18506475
LogD (pH = 7.4)
1.4796491
Log P
1.8752711
Molar Refractivity
65.1889
Polarizability
24.73944
Polar Surface Area
29.54
Rotatable Bonds
4
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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