Molecule

ID:18160

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c1-17-14-6-5-12(11-16)9-13(14)10-15-7-3-2-4-8-15/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKey
XGYIPSUCUPAHRT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1CCCCC1)C=O
Isomeric Smiles
c1(CN2CCCCC2)c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.37753564
LogD (pH = 7.4)
1.9935238
Log P
2.3198397
Molar Refractivity
69.7899
Polarizability
26.582651
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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