N'-[(Z)-prop-2-enylideneamino]benzenecarboximidamide
Formula:C10H11N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-prop-2-enylideneamino]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-[(Z)-prop-2-enylideneamino]benzenecarboximidamide |
| MolecularFormula | C10H11N3 |
| Smiles | C=C/C=N\N=C(/c1ccccc1)\N |
| InChI | InChI=1S/C10H11N3/c1-2-8-12-13-10(11)9-6-4-3-5-7-9/h2-8H,1H2,(H2,11,13) |
| InChIK | CDUPNYBGYVABKG-UHFFFAOYSA-N |
| TotalMolweight | 173.218 |
| Molweight | 173.218 |
| MonoisotopicMass | 173.095297 |
| CLogP | 2.4538 |
| CLogS | -2.858 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 154.05 |
| Relative PSA | 0.24856 |
| PolarSurfaceArea | 50.74 |
| Druglikeness | -1.204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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