4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzene-1-sulfonic acid
Chemical Structure Depiction of
4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzene-1-sulfonic acid
4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzene-1-sulfonic acid
Compound characteristics
Compound ID: | 8009-2517 |
Compound Name: | 4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzene-1-sulfonic acid |
Molecular Weight: | 312.26 |
Molecular Formula: | C10 H8 N4 O6 S |
Smiles: | c1cc(ccc1NN=C1C(NC(NC1=O)=O)=O)S(O)(=O)=O |
Stereo: | ACHIRAL |
logP: | -2.3633 |
logD: | -16.0633 |
logSw: | -2.1713 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 125.032 |
InChI Key: | YWQWCJYMMQJOLE-UHFFFAOYSA-N |