N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
Formula:C14H15N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide |
| MolecularFormula | C14H15N3O2Cl2 |
| Smiles | O=C(C(N1CCCCC1)=O)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C14H15Cl2N3O2/c15-11-5-4-10(8-12(11)16)9-17-18-13(20)14(21)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H,18,20) |
| InChIK | MBYCLZNWAGLGGN-UHFFFAOYSA-N |
| TotalMolweight | 328.198 |
| Molweight | 328.198 |
| MonoisotopicMass | 327.054131 |
| CLogP | 3.0467 |
| CLogS | -4.084 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.42 |
| Relative PSA | 0.21788 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 3.5522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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