Molecule

ID:33314

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₃S₂
Molecular Mass
230.26414
Exact Mass
229.98198406
Charge
0
InChI
InChI=1S/C7H6N2O3S2/c8-14(10,11)4-1-2-6-5(3-4)9-7(13)12-6/h1-3H,(H,9,13)(H2,8,10,11)
InChIKey
SCMGHROIQYCXRC-UHFFFAOYSA-N
Canonic Smiles
Sc1oc2c(n1)cc(cc2)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1cc2nc(oc2cc1)S)N
Calculated Properties
JChem
Acid pKa
6.61557
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.67253035
LogD (pH = 7.4)
-0.05899654
Log P
0.70335335
Molar Refractivity
52.3641
Polarizability
22.228298
Polar Surface Area
86.19
Rotatable Bonds
1
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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