Mol Weight - 192.989
Smiles - OC(c(c(Cl)ncn1)c1Cl)=O
| Property Name | Property Value |
| Mol Name | 4,6-Dichloro-5-pyrimidinecarboxylicacid |
| Molweight | 192.989 |
| Monoisotopic Mass | 191.949332 |
| Clogp | 0.9883 |
| Clogs | -1.623 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 125.72 |
| Relative Psa | 0.38244 |
| Polar Surface Area | 63.08 |
| Druglikeness | -1.4266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.35822 |
| Molecular Complexity | 0.7824 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 3 |
| Aromatic Nitrogens | 2 |
| Acidic Oxygens | 1 |
| Smiles | OC(c(c(Cl)ncn1)c1Cl)=O |
| InChIKey | InChI=1S/C5H2Cl2N2O2/c6-3-2(5(10)11)4(7)9-1-8-3/h1H,(H,10,11) |
| InChI | KGBLYFGHJNGQBK-UHFFFAOYSA-N |
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1 — 4,6-Dichloro-5-pyrimidinecarboxylicacid | 2 — 4,6-Dichloro-5-pyrimidinecarboxylicacid