3-[(Z)-furan-2-ylmethylideneamino]oxypropanenitrile
Formula:C8H8N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-furan-2-ylmethylideneamino]oxypropanenitrile is a drug-like molecule.
| MolName | 3-[(Z)-furan-2-ylmethylideneamino]oxypropanenitrile |
| MolecularFormula | C8H8N2O2 |
| Smiles | N#CCCO/N=C\c1ccco1 |
| InChI | InChI=1S/C8H8N2O2/c9-4-2-6-12-10-7-8-3-1-5-11-8/h1,3,5,7H,2,6H2 |
| InChIK | OSUKIFNOPAZHCB-UHFFFAOYSA-N |
| TotalMolweight | 164.164 |
| Molweight | 164.164 |
| MonoisotopicMass | 164.058578 |
| CLogP | 1.7126 |
| CLogS | -2.719 |
| H Acceptors | 4 |
| TotalSurfaceArea | 146.94 |
| Relative PSA | 0.33469 |
| PolarSurfaceArea | 58.52 |
| Druglikeness | -6.9971 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| StereoCon |
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