Molecule

ID:11015

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₄S
Molecular Mass
320.36354
Exact Mass
320.083078
Charge
0
InChI
InChI=1S/C15H16N2O4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10,16H2,(H,18,19)
InChIKey
AAWOKTGNZABRTQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NS(=O)(=O)c1ccc(cc1)N)Cc1ccccc1
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)Cc1ccccc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
3.4663637
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.4383421
LogD (pH = 7.4)
-1.7329313
Log P
1.4097723
Molar Refractivity
83.0105
Polarizability
32.405537
Polar Surface Area
109.49
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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