(E)-2-cyano-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide
Formula:C13H10N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C13H10N2O3 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C\c1ccco1 |
| InChI | InChI=1S/C13H10N2O3/c14-8-10(7-11-3-1-5-17-11)13(16)15-9-12-4-2-6-18-12/h1-7H,9H2,(H,15,16) |
| InChIK | QKYFQSIHBRLLFU-UHFFFAOYSA-N |
| TotalMolweight | 242.233 |
| Molweight | 242.233 |
| MonoisotopicMass | 242.069143 |
| CLogP | 1.0751 |
| CLogS | -2.95 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 201.79 |
| Relative PSA | 0.32846 |
| PolarSurfaceArea | 79.17 |
| Druglikeness | -1.545 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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