Molecule

ID:116746

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₄S
Molecular Mass
373.46592
Exact Mass
373.13477922
Charge
0
InChI
InChI=1S/C20H23NO4S/c1-3-25-19(22)20(13-16-9-5-4-6-10-16)14-17-11-7-8-12-18(17)21(15-20)26(2,23)24/h4-12H,3,13-15H2,1-2H3
InChIKey
QDXHAHLQIQKXKM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(Cc2ccccc2)Cc2ccccc2N(C1)S(=O)(=O)C
Isomeric Smiles
N1(S(=O)(=O)C)CC(C(=O)OCC)(Cc2c1cccc2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.070259
LogD (pH = 7.4)
3.070259
Log P
3.070259
Molar Refractivity
100.3491
Polarizability
39.99433
Polar Surface Area
63.68
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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