Molecule

ID:28976

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₄
Molecular Mass
331.4061
Exact Mass
331.17835829
Charge
0
InChI
InChI=1S/C19H25NO4/c1-4-23-10-11-24-17-7-5-6-15(12-17)14-20-18-13-16(21-2)8-9-19(18)22-3/h5-9,12-13,20H,4,10-11,14H2,1-3H3
InChIKey
XAGOAXJECLDSCJ-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)CNc1cc(OC)ccc1OC
Isomeric Smiles
c1(NCc2cc(OCCOCC)ccc2)cc(ccc1OC)OC
Calculated Properties
JChem
Acid pKa
18.084661
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.999647
LogD (pH = 7.4)
3.0072184
Log P
3.0073156
Molar Refractivity
96.0461
Polarizability
36.66951
Polar Surface Area
48.95
Rotatable Bonds
10
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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