Molecule

ID:29530

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₃
Molecular Mass
309.35906
Exact Mass
309.13649347
Charge
0
InChI
InChI=1S/C19H19NO3/c1-2-7-16(8-3-1)22-13-14-23-19-11-5-4-10-18(19)20-15-17-9-6-12-21-17/h1-12,20H,13-15H2
InChIKey
MCYAXAMBTWEARW-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)OCCOc1ccccc1NCc1ccco1
Isomeric Smiles
c1(occc1)CNc1c(OCCOc2ccccc2)cccc1
Calculated Properties
JChem
Acid pKa
17.305689
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.713235
LogD (pH = 7.4)
3.717073
Log P
3.717122
Molar Refractivity
90.2707
Polarizability
34.39767
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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