Molecule

ID:28824

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-3-22-12-13-23-19-7-5-4-6-17(19)15-20-14-16-8-10-18(21-2)11-9-16/h4-11,20H,3,12-15H2,1-2H3
InChIKey
IOPBNQPFUVQCRB-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccccc1CNCc1ccc(cc1)OC
Isomeric Smiles
c1(c(OCCOCC)cccc1)CNCc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.48409167
LogD (pH = 7.4)
2.1730065
Log P
3.2505577
Molar Refractivity
92.6371
Polarizability
36.386913
Polar Surface Area
39.72
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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