(Z)-2-amino-3-(pyridin-3-ylmethylideneamino)but-2-enedinitrile
Formula:C10H7N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-amino-3-(pyridin-3-ylmethylideneamino)but-2-enedinitrile is a drug-like molecule.
| MolName | (Z)-2-amino-3-(pyridin-3-ylmethylideneamino)but-2-enedinitrile |
| MolecularFormula | C10H7N5 |
| Smiles | N/C(/C#N)=C(/C#N)\N=C\c1cnccc1 |
| InChI | InChI=1S/C10H7N5/c11-4-9(13)10(5-12)15-7-8-2-1-3-14-6-8/h1-3,6-7H,13H2 |
| InChIK | WMHWWJVZIGPOKI-UHFFFAOYSA-N |
| TotalMolweight | 197.201 |
| Molweight | 197.201 |
| MonoisotopicMass | 197.070145 |
| CLogP | 0.468 |
| CLogS | -2.554 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 171.64 |
| Relative PSA | 0.37794 |
| PolarSurfaceArea | 98.85 |
| Druglikeness | -5.5099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (Z)-2-amino-3-(pyridin-3-ylmethylideneamino)but-2-enedinitrile | 2 - (Z)-2-amino-3-(pyridin-3-ylmethylideneamino)but-2-enedinitrile
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