Molecule

ID:116517

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO₅S
Molecular Mass
375.43874
Exact Mass
375.11404378
Charge
0
InChI
InChI=1S/C19H21NO5S/c1-14-3-9-18(10-4-14)26(22,23)25-13-15-11-19(21)20(12-15)16-5-7-17(24-2)8-6-16/h3-10,15H,11-13H2,1-2H3
InChIKey
NBKXBTRMIHRYQM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1CC(CC1=O)COS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OCC1CN(C(=O)C1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6783166
LogD (pH = 7.4)
2.6783166
Log P
2.6783166
Molar Refractivity
97.6396
Polarizability
38.729313
Polar Surface Area
72.91
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
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Molecule Details
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References
Bioactivity
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