Molecule

ID:116748

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₃NO₃
Molecular Mass
337.41222
Exact Mass
337.1677936
Charge
0
InChI
InChI=1S/C21H23NO3/c1-3-25-20(24)21(13-17-9-5-4-6-10-17)14-18-11-7-8-12-19(18)22(15-21)16(2)23/h4-12H,3,13-15H2,1-2H3
InChIKey
VFJLHUIPPJKCNZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(Cc2ccccc2)Cc2ccccc2N(C1)C(=O)C
Isomeric Smiles
C1(CN(c2c(C1)cccc2)C(=O)C)(C(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5752203
LogD (pH = 7.4)
3.5752203
Log P
3.5752203
Molar Refractivity
96.7481
Polarizability
37.726074
Polar Surface Area
46.61
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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