Molecule

ID:39616

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₄S
Molecular Mass
319.37548
Exact Mass
319.08782903
Charge
0
InChI
InChI=1S/C16H17NO4S/c1-12-8-10-14(11-9-12)22(19,20)17-15(16(18)21-2)13-6-4-3-5-7-13/h3-11,15,17H,1-2H3
InChIKey
RUYIDMOVZKCDIJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(NC(C(=O)OC)c1ccccc1)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
10.346617
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8766754
LogD (pH = 7.4)
2.876246
Log P
2.8766809
Molar Refractivity
83.3654
Polarizability
33.256447
Polar Surface Area
72.47
Rotatable Bonds
5
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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