Molecule

ID:62009

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c16-12-13-6-1-2-7-14(13)17-11-5-10-15-8-3-4-9-15/h1-2,6-7,12H,3-5,8-11H2
InChIKey
IHDHMWIYERBQDH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCCCN1CCCC1
Isomeric Smiles
N1(CCCOc2c(C=O)cccc2)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.94502133
LogD (pH = 7.4)
0.78505826
Log P
2.0124786
Molar Refractivity
69.5307
Polarizability
26.589714
Polar Surface Area
29.54
Rotatable Bonds
6
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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