Molecule

ID:57742

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃S
Molecular Mass
240.27888
Exact Mass
240.05686325
Charge
0
InChI
InChI=1S/C10H12N2O3S/c1-12(6-7-13)10-8-4-2-3-5-9(8)16(14,15)11-10/h2-5,13H,6-7H2,1H3
InChIKey
FIOLOSXCGDHRBO-UHFFFAOYSA-N
Canonic Smiles
OCCN(C1=NS(=O)(=O)c2c1cccc2)C
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)N(CCO)C
Calculated Properties
JChem
Acid pKa
15.577099
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.084177494
LogD (pH = 7.4)
-0.08398069
Log P
-0.083978176
Molar Refractivity
60.7351
Polarizability
23.621593
Polar Surface Area
69.97
Rotatable Bonds
2
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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