(E)-2-cyano-N,3-dinaphthalen-1-ylprop-2-enamide
Formula:C24H16N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N,3-dinaphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N,3-dinaphthalen-1-ylprop-2-enamide |
| MolecularFormula | C24H16N2O |
| Smiles | N#C/C(/C(Nc1cccc2ccccc12)=O)=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C24H16N2O/c25-16-20(15-19-11-5-9-17-7-1-3-12-21(17)19)24(27)26-23-14-6-10-18-8-2-4-13-22(18)23/h1-15H,(H,26,27) |
| InChIK | RHXALCVHGVQSKR-UHFFFAOYSA-N |
| TotalMolweight | 348.404 |
| Molweight | 348.404 |
| MonoisotopicMass | 348.126263 |
| CLogP | 5.3771 |
| CLogS | -6.982 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.85 |
| Relative PSA | 0.13698 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -1.7589 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Amides | 1 |
| StereoCon |
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