[3-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)adamantan-1-yl]acetic acid
Chemical Structure Depiction of
[3-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)adamantan-1-yl]acetic acid
[3-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)adamantan-1-yl]acetic acid
Compound characteristics
| Compound ID: | Y503-2222 |
| Compound Name: | [3-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)adamantan-1-yl]acetic acid |
| Molecular Weight: | 357.23 |
| Molecular Formula: | C16 H18 Cl2 N2 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)[Cl])[Cl])=O)CC(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2075 |
| logD: | 0.4407 |
| logSw: | -3.2272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.158 |
| InChI Key: | DXOXDTGEXXVREU-UHFFFAOYSA-N |