4-hydroxy-5-nitro-2-[(Z)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one
Formula:C11H8N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-5-nitro-2-[(Z)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one is a drug-like molecule.
| MolName | 4-hydroxy-5-nitro-2-[(Z)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one |
| MolecularFormula | C11H8N4O4 |
| Smiles | [O-][N+](C(C(NC(/C=C\c1cnccc1)=N1)=O)=C1O)=O |
| InChI | InChI=1S/C11H8N4O4/c16-10-9(15(18)19)11(17)14-8(13-10)4-3-7-2-1-5-12-6-7/h1-6H,(H2,13,14,16,17) |
| InChIK | DGUKINSFYXIMIL-UHFFFAOYSA-N |
| TotalMolweight | 260.209 |
| Molweight | 260.209 |
| MonoisotopicMass | 260.054556 |
| CLogP | -1.0814 |
| CLogS | -3.223 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 190.14 |
| Relative PSA | 0.47597 |
| PolarSurfaceArea | 120.4 |
| Druglikeness | -2.5595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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