Molecule

ID:41129

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄S
Molecular Mass
297.36996
Exact Mass
297.10347909
Charge
0
InChI
InChI=1S/C14H19NO4S/c1-11-3-5-13(6-4-11)20(17,18)15-9-7-12(8-10-15)14(16)19-2/h3-6,12H,7-10H2,1-2H3
InChIKey
KHUQXQXOWOETRF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(N1CCC(C(=O)OC)CC1)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7590548
LogD (pH = 7.4)
1.7590548
Log P
1.7590548
Molar Refractivity
76.2015
Polarizability
30.331001
Polar Surface Area
63.68
Rotatable Bonds
3
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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