6-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one
Formula:C9H8N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 6-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one |
| MolecularFormula | C9H8N4OS |
| Smiles | O=C1N=CC=C(N/N=C\c2cccs2)N1 |
| InChI | InChI=1S/C9H8N4OS/c14-9-10-4-3-8(12-9)13-11-6-7-2-1-5-15-7/h1-6H,(H2,10,12,13,14) |
| InChIK | WCPPUPKTJBKUAN-UHFFFAOYSA-N |
| TotalMolweight | 220.256 |
| Molweight | 220.256 |
| MonoisotopicMass | 220.041881 |
| CLogP | 1.7546 |
| CLogS | -4.642 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 170.6 |
| Relative PSA | 0.46506 |
| PolarSurfaceArea | 94.09 |
| Druglikeness | 4.7394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | polar activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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