6-[(2Z)-2-benzylidenehydrazinyl]-1H-pyrimidin-2-one
Formula:C11H10N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-[(2Z)-2-benzylidenehydrazinyl]-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 6-[(2Z)-2-benzylidenehydrazinyl]-1H-pyrimidin-2-one |
| MolecularFormula | C11H10N4O |
| Smiles | O=C1N=CC=C(N/N=C\c2ccccc2)N1 |
| InChI | InChI=1S/C11H10N4O/c16-11-12-7-6-10(14-11)15-13-8-9-4-2-1-3-5-9/h1-8H,(H2,12,14,15,16) |
| InChIK | SRKBJLDBDOXUKE-UHFFFAOYSA-N |
| TotalMolweight | 214.227 |
| Molweight | 214.227 |
| MonoisotopicMass | 214.085461 |
| CLogP | 1.888 |
| CLogS | -4.632 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 174.66 |
| Relative PSA | 0.33768 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 2.9957 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | polar activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-[(2Z)-2-benzylidenehydrazinyl]-1H-pyrimidin-2-one | 2 - 6-[(2Z)-2-benzylidenehydrazinyl]-1H-pyrimidin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off