Molecule

ID:83335

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃S
Molecular Mass
303.37608
Exact Mass
303.09291441
Charge
0
InChI
InChI=1S/C16H17NO3S/c18-21(19,20)14-4-11-17-12-9-16(10-13-17)8-7-15-5-2-1-3-6-15/h1-3,5-10,12-13H,4,11,14H2
InChIKey
RQSIRILOMAETEH-UHFFFAOYSA-N
Canonic Smiles
[O-]S(=O)(=O)CCC[n+]1ccc(cc1)/C=C/c1ccccc1
Isomeric Smiles
S(=O)(=O)([O-])CCC[n+]1ccc(cc1)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
-1.5950673
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.9441018
LogD (pH = 7.4)
-2.9441023
Log P
-1.7677035
Molar Refractivity
83.9413
Polarizability
32.868298
Polar Surface Area
61.08
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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