N-benzyl-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]propanediamide
Formula:C17H15N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]propanediamide |
| MolecularFormula | C17H15N3O2ClF |
| Smiles | O=C(CC(N/N=C\c(c(F)ccc1)c1Cl)=O)NCc1ccccc1 |
| InChI | InChI=1S/C17H15ClFN3O2/c18-14-7-4-8-15(19)13(14)11-21-22-17(24)9-16(23)20-10-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,23)(H,22,24) |
| InChIK | HOGACZXEZCQQRV-UHFFFAOYSA-N |
| TotalMolweight | 347.776 |
| Molweight | 347.776 |
| MonoisotopicMass | 347.083682 |
| CLogP | 3.0145 |
| CLogS | -4.661 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 265.49 |
| Relative PSA | 0.22792 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.0735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-benzyl-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]propanediamide | 2 - N-benzyl-N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]propanediamide
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