N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-pyrrolidin-1-ylacetamide
Formula:C15H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C15H19N3O |
| Smiles | O=C(CN1CCCC1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C15H19N3O/c19-15(13-18-11-4-5-12-18)17-16-10-6-9-14-7-2-1-3-8-14/h1-3,6-10H,4-5,11-13H2,(H,17,19) |
| InChIK | FSOTWPNYFGXNPT-UHFFFAOYSA-N |
| TotalMolweight | 257.336 |
| Molweight | 257.336 |
| MonoisotopicMass | 257.152812 |
| CLogP | 1.8606 |
| CLogS | -2.652 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 219.33 |
| Relative PSA | 0.18037 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 6.3131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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