Molecule

ID:21182

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₂
Molecular Mass
221.29546
Exact Mass
221.14157885
Charge
0
InChI
InChI=1S/C13H19NO2/c1-15-12-5-7-13(8-6-12)16-10-11-4-2-3-9-14-11/h5-8,11,14H,2-4,9-10H2,1H3
InChIKey
SVSNHJLZMKFEPB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCC1CCCCN1
Isomeric Smiles
N1C(COc2ccc(cc2)OC)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9805072
LogD (pH = 7.4)
0.049829025
Log P
2.203633
Molar Refractivity
63.521
Polarizability
25.36963
Polar Surface Area
30.49
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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