2-[(2Z)-2-benzylidenehydrazinyl]-6-oxo-1H-pyrimidine-5-carbonitrile
Formula:C12H9N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-benzylidenehydrazinyl]-6-oxo-1H-pyrimidine-5-carbonitrile is a drug-like molecule.
| MolName | 2-[(2Z)-2-benzylidenehydrazinyl]-6-oxo-1H-pyrimidine-5-carbonitrile |
| MolecularFormula | C12H9N5O |
| Smiles | N#CC1=CN=C(N/N=C\c2ccccc2)NC1=O |
| InChI | InChI=1S/C12H9N5O/c13-6-10-8-14-12(16-11(10)18)17-15-7-9-4-2-1-3-5-9/h1-5,7-8H,(H2,14,16,17,18) |
| InChIK | OBEYVEZGZLUWMF-UHFFFAOYSA-N |
| TotalMolweight | 239.237 |
| Molweight | 239.237 |
| MonoisotopicMass | 239.08071 |
| CLogP | 0.6079 |
| CLogS | -3.68 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 194.58 |
| Relative PSA | 0.3728 |
| PolarSurfaceArea | 89.64 |
| Druglikeness | 0.79172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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