Molecule

ID:18749

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-17-13-4-2-3-12(11-16)14(13)19-10-7-15-5-8-18-9-6-15/h2-4,11H,5-10H2,1H3
InChIKey
WWOLOKZLMZZKJY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCCN1CCOCC1)C=O
Isomeric Smiles
c1(c(C=O)cccc1OC)OCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.9108005
LogD (pH = 7.4)
1.1660955
Log P
1.1705498
Molar Refractivity
72.662
Polarizability
27.973465
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
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Molecule Details
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References
Bioactivity
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