(E)-2-cyano-N-cyclopropyl-3-[4-(diethylamino)phenyl]prop-2-enamide
Formula:C17H21N3O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-2-cyano-N-cyclopropyl-3-[4-(diethylamino)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclopropyl-3-[4-(diethylamino)phenyl]prop-2-enamide |
| MolecularFormula | C17H21N3O |
| Smiles | CCN(CC)c1ccc(/C=C(/C(NC2CC2)=O)\C#N)cc1 |
| InChI | InChI=1S/C17H21N3O/c1-3-20(4-2)16-9-5-13(6-10-16)11-14(12-18)17(21)19-15-7-8-15/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,19,21) |
| InChIK | QCBGLSXPDXQUGI-UHFFFAOYSA-N |
| TotalMolweight | 283.374 |
| Molweight | 283.374 |
| MonoisotopicMass | 283.168462 |
| CLogP | 2.5183 |
| CLogS | -3.663 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.75 |
| Relative PSA | 0.17502 |
| PolarSurfaceArea | 56.13 |
| Druglikeness | 0.8964 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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