Molecule

ID:58165

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₄S
Molecular Mass
340.43776
Exact Mass
340.14567826
Charge
0
InChI
InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(19)17-13-9-11-18(12-10-13)23(20,21)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,17,19)
InChIKey
LVWZSWFLKZDSPJ-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC1CCN(CC1)S(=O)(=O)c1ccccc1
Isomeric Smiles
C1N(CCC(C1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.393977
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7299039
LogD (pH = 7.4)
1.7299038
Log P
1.7299039
Molar Refractivity
88.2641
Polarizability
35.22397
Polar Surface Area
75.71
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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