Molecule

ID:108066

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₃S
Molecular Mass
214.2416
Exact Mass
214.04121319
Charge
0
InChI
InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3
InChIKey
FFKZOUIEAHOBHW-UHFFFAOYSA-N
Canonic Smiles
O=NN(S(=O)(=O)c1ccc(cc1)C)C
Isomeric Smiles
CN(N=O)S(=O)(=O)c1ccc(C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9265324
LogD (pH = 7.4)
1.9265324
Log P
1.9265324
Molar Refractivity
53.5109
Polarizability
20.332233
Polar Surface Area
66.81
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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