(E)-2-amino-3-(furan-2-ylmethylideneamino)but-2-enedinitrile
Formula:C9H6N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-amino-3-(furan-2-ylmethylideneamino)but-2-enedinitrile is a drug-like molecule.
| MolName | (E)-2-amino-3-(furan-2-ylmethylideneamino)but-2-enedinitrile |
| MolecularFormula | C9H6N4O |
| Smiles | N/C(/C#N)=C(\C#N)/N=C/c1ccco1 |
| InChI | InChI=1S/C9H6N4O/c10-4-8(12)9(5-11)13-6-7-2-1-3-14-7/h1-3,6H,12H2 |
| InChIK | TUDIERUENMEXLK-UHFFFAOYSA-N |
| TotalMolweight | 186.174 |
| Molweight | 186.174 |
| MonoisotopicMass | 186.054161 |
| CLogP | 0.6576 |
| CLogS | -3.031 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 162.57 |
| Relative PSA | 0.41834 |
| PolarSurfaceArea | 99.1 |
| Druglikeness | -5.4375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| BasicNitrogens | 2 |
| StereoCon |
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