6-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
Formula:C11H8N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 6-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one |
| MolecularFormula | C11H8N4OCl2 |
| Smiles | O=C1N=CC=C(N/N=C\c(ccc(Cl)c2)c2Cl)N1 |
| InChI | InChI=1S/C11H8Cl2N4O/c12-8-2-1-7(9(13)5-8)6-15-17-10-3-4-14-11(18)16-10/h1-6H,(H2,14,16,17,18) |
| InChIK | UVOLUKNERMRHFQ-UHFFFAOYSA-N |
| TotalMolweight | 283.118 |
| Molweight | 283.118 |
| MonoisotopicMass | 282.007515 |
| CLogP | 3.1 |
| CLogS | -6.104 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 205.5 |
| Relative PSA | 0.28701 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 3.0324 |
| 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 | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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