6-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one
Formula:C14H11N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 6-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]-1H-pyrimidin-2-one |
| MolecularFormula | C14H11N5O |
| Smiles | O=C1N=CC=C(N/N=C\c2ccnc3ccccc23)N1 |
| InChI | InChI=1S/C14H11N5O/c20-14-16-8-6-13(18-14)19-17-9-10-5-7-15-12-4-2-1-3-11(10)12/h1-9H,(H2,16,18,19,20) |
| InChIK | VNTIDBLPHBPSJI-UHFFFAOYSA-N |
| TotalMolweight | 265.275 |
| Molweight | 265.275 |
| MonoisotopicMass | 265.09636 |
| CLogP | 2.204 |
| CLogS | -5.338 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 208.02 |
| Relative PSA | 0.33627 |
| PolarSurfaceArea | 78.74 |
| Druglikeness | 2.9957 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | polar activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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