Molecule

ID:25915

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-17-13-3-2-12(11-16)10-14(13)19-9-6-15-4-7-18-8-5-15/h2-3,10-11H,4-9H2,1H3
InChIKey
PPGOJWNQUOMSLT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OCCN1CCOCC1)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)OCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.8822999
LogD (pH = 7.4)
1.1654282
Log P
1.1705498
Molar Refractivity
72.662
Polarizability
27.970985
Polar Surface Area
48.0
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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