5-nitro-6-[(E)-2-thiophen-3-ylethenyl]-1H-pyrimidine-2,4-dione
Formula:C10H7N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-6-[(E)-2-thiophen-3-ylethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 5-nitro-6-[(E)-2-thiophen-3-ylethenyl]-1H-pyrimidine-2,4-dione |
| MolecularFormula | C10H7N3O4S |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C/c2cscc2)NC1=O)=O |
| InChI | InChI=1S/C10H7N3O4S/c14-9-8(13(16)17)7(11-10(15)12-9)2-1-6-3-4-18-5-6/h1-5H,(H2,11,12,14,15) |
| InChIK | DMNNYALXRUIKLT-UHFFFAOYSA-N |
| TotalMolweight | 265.249 |
| Molweight | 265.249 |
| MonoisotopicMass | 265.015727 |
| CLogP | 0.0804 |
| CLogS | -3.306 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 187.21 |
| Relative PSA | 0.53298 |
| PolarSurfaceArea | 132.26 |
| Druglikeness | -2.2989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 | 1 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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