1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8013-2452 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid |
| Molecular Weight: | 303.7 |
| Molecular Formula: | C14 H10 Cl N3 O3 |
| Smiles: | CC1=C(C#N)C(N(c2ccc(C)c(c2)[Cl])N=C1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3694 |
| logD: | -6.3896 |
| logSw: | -2.6738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.784 |
| InChI Key: | MNQWEZCWQMQERR-UHFFFAOYSA-N |