Molecule

ID:29604

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-2-17-9-10-19-14-6-3-5-13(11-14)16-12-15-7-4-8-18-15/h3-8,11,16H,2,9-10,12H2,1H3
InChIKey
JUDSDCJFDIBSMH-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)NCc1ccco1
Isomeric Smiles
c1(occc1)CNc1cc(OCCOCC)ccc1
Calculated Properties
JChem
Acid pKa
18.594717
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3822436
LogD (pH = 7.4)
2.3828967
Log P
2.3829048
Molar Refractivity
75.5106
Polarizability
28.49961
Polar Surface Area
43.63
Rotatable Bonds
8
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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