Molecule

ID:40065

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₅S
Molecular Mass
340.3947
Exact Mass
340.10929275
Charge
0
InChI
InChI=1S/C15H20N2O5S/c1-11(18)16-13-3-5-14(6-4-13)23(20,21)17-9-7-12(8-10-17)15(19)22-2/h3-6,12H,7-10H2,1-2H3,(H,16,18)
InChIKey
CCURQVUILFQPGH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)C
Isomeric Smiles
S(=O)(=O)(N1CCC(C(=O)OC)CC1)c1ccc(NC(=O)C)cc1
Calculated Properties
JChem
Acid pKa
13.478728
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.48334378
LogD (pH = 7.4)
0.48334345
Log P
0.48334378
Molar Refractivity
86.0233
Polarizability
33.49961
Polar Surface Area
92.78
Rotatable Bonds
4
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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