Molecule

ID:61690

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₂
Molecular Mass
219.27958
Exact Mass
219.12592879
Charge
0
InChI
InChI=1S/C13H17NO2/c1-16-13(15)12-6-4-11(5-7-12)10-14-8-2-3-9-14/h4-7H,2-3,8-10H2,1H3
InChIKey
HWBHHIBLFOMXJM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CN1CCCC1
Isomeric Smiles
C(=O)(c1ccc(CN2CCCC2)cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.86127096
LogD (pH = 7.4)
0.74621564
Log P
2.323917
Molar Refractivity
64.167
Polarizability
24.74743
Polar Surface Area
29.54
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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