Molecule

ID:40586

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃S
Molecular Mass
303.37608
Exact Mass
303.09291441
Charge
0
InChI
InChI=1S/C16H17NO3S/c1-4-20-16(19)14-10(2)13(11(3)18)15(21-14)17-12-8-6-5-7-9-12/h5-9,17H,4H2,1-3H3
InChIKey
JWLSUYJPIFPMSI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(c(c1C)C(=O)C)Nc1ccccc1
Isomeric Smiles
c1(c(c(c(s1)C(=O)OCC)C)C(=O)C)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.423663
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.223403
LogD (pH = 7.4)
5.2234025
Log P
5.223403
Molar Refractivity
82.8119
Polarizability
31.513514
Polar Surface Area
55.4
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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