Molecule

ID:19362

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c16-12-13-2-4-14(5-3-13)18-9-1-6-15-7-10-17-11-8-15/h2-5,12H,1,6-11H2
InChIKey
VQOGMXOCLIIIMA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCCCN1CCOCC1
Isomeric Smiles
N1(CCCOc2ccc(C=O)cc2)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.5114803
LogD (pH = 7.4)
1.3538111
Log P
1.3881807
Molar Refractivity
71.0642
Polarizability
27.27831
Polar Surface Area
38.77
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
No Data Available
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Molecule Details
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References
Bioactivity
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