Molecule

ID:69352

General Information
Structure
Molecular Formula
C₁₉H₂₁NO₂
Molecular Mass
295.37554
Exact Mass
295.15722892
Charge
0
InChI
InChI=1S/C19H21NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKey
YSHDPXQDVKNPKA-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)C/N=C(\c1ccccc1)/c1ccccc1
Isomeric Smiles
C(=O)(C/N=C(\c1ccccc1)/c1ccccc1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3393908
LogD (pH = 7.4)
4.3466797
Log P
4.3467736
Molar Refractivity
88.2466
Polarizability
34.299797
Polar Surface Area
38.66
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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