Molecule

ID:35000

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₄S
Molecular Mass
305.3489
Exact Mass
305.07217897
Charge
0
InChI
InChI=1S/C15H15NO4S/c1-11-2-8-14(9-3-11)21(19,20)16-10-12-4-6-13(7-5-12)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKey
GUNONIQPSZDDRR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)O
Isomeric Smiles
S(=O)(=O)(NCc1ccc(C(=O)O)cc1)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
4.0651226
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2513574
LogD (pH = 7.4)
-0.42249858
Log P
2.69843
Molar Refractivity
80.0226
Polarizability
31.144754
Polar Surface Area
83.47
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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