N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C17H16N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C17H16N3O3Cl |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 |
| InChI | InChI=1S/C17H16ClN3O3/c18-13-5-3-4-12(10-13)15-7-6-14(24-15)11-19-20-16(22)17(23)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2,(H,20,22) |
| InChIK | VCEOWSONRLVNKV-UHFFFAOYSA-N |
| TotalMolweight | 345.785 |
| Molweight | 345.785 |
| MonoisotopicMass | 345.088019 |
| CLogP | 3.0376 |
| CLogS | -4.538 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 261.69 |
| Relative PSA | 0.25492 |
| PolarSurfaceArea | 74.91 |
| Druglikeness | 7.165 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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