(E)-2-cyano-N-cyclohexyl-3-naphthalen-1-ylprop-2-enamide
Formula:C20H20N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-cyclohexyl-3-naphthalen-1-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclohexyl-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C20H20N2O |
| Smiles | N#C/C(/C(NC1CCCCC1)=O)=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H20N2O/c21-14-17(20(23)22-18-10-2-1-3-11-18)13-16-9-6-8-15-7-4-5-12-19(15)16/h4-9,12-13,18H,1-3,10-11H2,(H,22,23) |
| InChIK | YFZNVJLWKKBXBR-UHFFFAOYSA-N |
| TotalMolweight | 304.392 |
| Molweight | 304.392 |
| MonoisotopicMass | 304.157563 |
| CLogP | 4.0297 |
| CLogS | -5.443 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 251.29 |
| Relative PSA | 0.15146 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -5.8368 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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