Molecule

ID:124082

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₃S
Molecular Mass
214.2416
Exact Mass
214.04121319
Charge
0
InChI
InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11)
InChIKey
WBXMKLUMWBPNFY-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccccc1NS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(Nc1c(C(=O)N)cccc1)C
Calculated Properties
JChem
Acid pKa
7.515948
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.80666393
LogD (pH = 7.4)
-1.0135318
Log P
-0.8029747
Molar Refractivity
51.8196
Polarizability
20.389427
Polar Surface Area
89.26
Rotatable Bonds
2
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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