1-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2-fluorophenyl)piperazine-2,5-dione
Formula:C17H13N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2-fluorophenyl)piperazine-2,5-dione is a drug-like molecule.
| MolName | 1-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2-fluorophenyl)piperazine-2,5-dione |
| MolecularFormula | C17H13N3O2ClF |
| Smiles | O=C(CN(C(C1)=O)/N=C\c(cccc2)c2Cl)N1c(cccc1)c1F |
| InChI | InChI=1S/C17H13ClFN3O2/c18-13-6-2-1-5-12(13)9-20-22-11-16(23)21(10-17(22)24)15-8-4-3-7-14(15)19/h1-9H,10-11H2 |
| InChIK | PXPJNSUQAMCMKL-UHFFFAOYSA-N |
| TotalMolweight | 345.76 |
| Molweight | 345.76 |
| MonoisotopicMass | 345.068032 |
| CLogP | 2.6705 |
| CLogS | -4.192 |
| H Acceptors | 5 |
| TotalSurfaceArea | 249.67 |
| Relative PSA | 0.179 |
| PolarSurfaceArea | 52.98 |
| Druglikeness | 4.2447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2-fluorophenyl)piperazine-2,5-dione | 2 - 1-[(Z)-(2-chlorophenyl)methylideneamino]-4-(2-fluorophenyl)piperazine-2,5-dione
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