N-(3,4-dichlorophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]propanediamide
Formula:C16H12N3O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3,4-dichlorophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]propanediamide |
| MolecularFormula | C16H12N3O2Cl2F |
| Smiles | O=C(CC(N/N=C\c(cccc1)c1F)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H12Cl2FN3O2/c17-12-6-5-11(7-13(12)18)21-15(23)8-16(24)22-20-9-10-3-1-2-4-14(10)19/h1-7,9H,8H2,(H,21,23)(H,22,24) |
| InChIK | DCSRIPXNGXUABG-UHFFFAOYSA-N |
| TotalMolweight | 368.194 |
| Molweight | 368.194 |
| MonoisotopicMass | 367.029059 |
| CLogP | 3.9111 |
| CLogS | -5.581 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.15 |
| Relative PSA | 0.2265 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 0.73164 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - N-(3,4-dichlorophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]propanediamide | 2 - N-(3,4-dichlorophenyl)-N'-[(Z)-(2-fluorophenyl)methylideneamino]propanediamide
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