4-hydroxy-5-nitro-2-[(E)-2-thiophen-3-ylethenyl]-1H-pyrimidin-6-one
Formula:C10H7N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-5-nitro-2-[(E)-2-thiophen-3-ylethenyl]-1H-pyrimidin-6-one is a drug-like molecule.
| MolName | 4-hydroxy-5-nitro-2-[(E)-2-thiophen-3-ylethenyl]-1H-pyrimidin-6-one |
| MolecularFormula | C10H7N3O4S |
| Smiles | [O-][N+](C(C(NC(/C=C/c1cscc1)=N1)=O)=C1O)=O |
| InChI | InChI=1S/C10H7N3O4S/c14-9-8(13(16)17)10(15)12-7(11-9)2-1-6-3-4-18-5-6/h1-5H,(H2,11,12,14,15) |
| InChIK | CKFCCXLDVBKXIC-UHFFFAOYSA-N |
| TotalMolweight | 265.249 |
| Molweight | 265.249 |
| MonoisotopicMass | 265.015727 |
| CLogP | -0.2961 |
| CLogS | -3.918 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 187.32 |
| Relative PSA | 0.53326 |
| PolarSurfaceArea | 135.75 |
| Druglikeness | -1.9966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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