4-(4-methyl-1-oxophthalazin-2(1H)-yl)benzoic acid
Chemical Structure Depiction of
4-(4-methyl-1-oxophthalazin-2(1H)-yl)benzoic acid
4-(4-methyl-1-oxophthalazin-2(1H)-yl)benzoic acid
Compound characteristics
| Compound ID: | 1650-0637 |
| Compound Name: | 4-(4-methyl-1-oxophthalazin-2(1H)-yl)benzoic acid |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C16 H12 N2 O3 |
| Smiles: | CC1c2ccccc2C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7581 |
| logD: | 0.3629 |
| logSw: | -3.1214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.629 |
| InChI Key: | NZVDHFVMZUBELK-UHFFFAOYSA-N |