Molecule

ID:65358

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁NO₂
Molecular Mass
307.38624
Exact Mass
307.15722892
Charge
0
InChI
InChI=1S/C20H21NO2/c1-2-23-19(22)13-16-14-21(15-16)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,2,14-15H2,1H3
InChIKey
MMUAPMICLHEYFY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C/1\CN(C1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
C1/C(=C\C(=O)OCC)/CN1C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4587638
LogD (pH = 7.4)
4.056735
Log P
4.0734735
Molar Refractivity
92.6749
Polarizability
35.999176
Polar Surface Area
29.54
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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