Molecule

ID:116464

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO₂
Molecular Mass
295.37554
Exact Mass
295.15722892
Charge
0
InChI
InChI=1S/C19H21NO2/c1-2-22-18(21)19(12-15-8-4-3-5-9-15)13-16-10-6-7-11-17(16)20-14-19/h3-11,20H,2,12-14H2,1H3
InChIKey
CRNMYCZNRJXTSF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CNc2c(C1)cccc2)Cc1ccccc1
Isomeric Smiles
C1(C(=O)OCC)(Cc2c(NC1)cccc2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9319646
LogD (pH = 7.4)
3.9460397
Log P
3.946222
Molar Refractivity
88.963
Polarizability
33.999683
Polar Surface Area
38.33
Rotatable Bonds
5
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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