Molecule

ID:19389

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₂
Molecular Mass
221.29546
Exact Mass
221.14157885
Charge
0
InChI
InChI=1S/C13H19NO2/c1-15-10-6-7-11(13(9-10)16-2)12-5-3-4-8-14-12/h6-7,9,12,14H,3-5,8H2,1-2H3
InChIKey
UPLHYQRIQVCOJT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1C1CCCCN1
Isomeric Smiles
c1(c(cc(cc1)OC)OC)C1NCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9368712
LogD (pH = 7.4)
0.49232206
Log P
2.1263852
Molar Refractivity
64.0446
Polarizability
25.365662
Polar Surface Area
30.49
Rotatable Bonds
3
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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