Molecule

ID:128778

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO₂
Molecular Mass
295.37554
Exact Mass
295.15722892
Charge
0
InChI
InChI=1S/C19H21NO2/c1-20(2)18(21)13-22-19-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)19/h3-10,19H,11-13H2,1-2H3
InChIKey
VBEZUCAXMREMFB-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)COC1c2ccccc2CCc2c1cccc2
Isomeric Smiles
O=C(N(C)C)COC1c2ccccc2CCc2c1cccc2
Calculated Properties
JChem
Acid pKa
19.84144
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3147724
LogD (pH = 7.4)
3.3147724
Log P
3.3147724
Molar Refractivity
87.8883
Polarizability
33.826317
Polar Surface Area
29.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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