Molecule

ID:29478

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-4-21-17-9-7-8-16(14-17)20-12-13-22-19-11-6-5-10-18(19)15(2)3/h5-11,14-15,20H,4,12-13H2,1-3H3
InChIKey
SYPCMZOOKHZQFG-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCCOc1ccccc1C(C)C
Isomeric Smiles
c1(c(OCCNc2cc(OCC)ccc2)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.5272603
LogD (pH = 7.4)
4.534131
Log P
4.5342193
Molar Refractivity
92.2066
Polarizability
35.250523
Polar Surface Area
30.49
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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