(Z)-2-formyl-3-(furan-2-yl)prop-2-enenitrile
Formula:C8H5NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-2-formyl-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-formyl-3-(furan-2-yl)prop-2-enenitrile |
| MolecularFormula | C8H5NO2 |
| Smiles | N#C/C(/C=O)=C/c1ccco1 |
| InChI | InChI=1S/C8H5NO2/c9-5-7(6-10)4-8-2-1-3-11-8/h1-4,6H |
| InChIK | ZDACVGXCCPUBBA-UHFFFAOYSA-N |
| TotalMolweight | 147.133 |
| Molweight | 147.133 |
| MonoisotopicMass | 147.032029 |
| CLogP | 0.6519 |
| CLogS | -2.186 |
| H Acceptors | 3 |
| TotalSurfaceArea | 128.91 |
| Relative PSA | 0.3158 |
| PolarSurfaceArea | 54 |
| Druglikeness | -7.3205 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| StereoCon |
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