2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
Formula:C12H10N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one |
| MolecularFormula | C12H10N4O3 |
| Smiles | O=C1NC(N/N=C\c(cc2)cc3c2OCO3)=NC=C1 |
| InChI | InChI=1S/C12H10N4O3/c17-11-3-4-13-12(15-11)16-14-6-8-1-2-9-10(5-8)19-7-18-9/h1-6H,7H2,(H2,13,15,16,17) |
| InChIK | YSSCZGXOIUNMLG-UHFFFAOYSA-N |
| TotalMolweight | 258.236 |
| Molweight | 258.236 |
| MonoisotopicMass | 258.075291 |
| CLogP | 1.0335 |
| CLogS | -4.119 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 194.92 |
| Relative PSA | 0.40519 |
| PolarSurfaceArea | 84.31 |
| Druglikeness | 2.3335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one | 2 - 2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
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