N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide
Formula:C17H19N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C17H19N3O2 |
| Smiles | O=C(CN1CCCC1)N/N=C\c1ccc(-c2ccccc2)o1 |
| InChI | InChI=1S/C17H19N3O2/c21-17(13-20-10-4-5-11-20)19-18-12-15-8-9-16(22-15)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,19,21) |
| InChIK | HRNNOPSLJXAHSM-UHFFFAOYSA-N |
| TotalMolweight | 297.357 |
| Molweight | 297.357 |
| MonoisotopicMass | 297.147727 |
| CLogP | 2.7812 |
| CLogS | -3.82 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.28 |
| Relative PSA | 0.22152 |
| PolarSurfaceArea | 57.84 |
| Druglikeness | 8.0292 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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