N'-[(Z)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)propanediamide
Formula:C16H13N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)propanediamide |
| MolecularFormula | C16H13N3O2BrCl |
| Smiles | O=C(CC(N/N=C\c1cccc(Br)c1)=O)Nc1cc(Cl)ccc1 |
| InChI | InChI=1S/C16H13BrClN3O2/c17-12-4-1-3-11(7-12)10-19-21-16(23)9-15(22)20-14-6-2-5-13(18)8-14/h1-8,10H,9H2,(H,20,22)(H,21,23) |
| InChIK | ATTCGGJQXJTMBH-UHFFFAOYSA-N |
| TotalMolweight | 394.655 |
| Molweight | 394.655 |
| MonoisotopicMass | 392.987965 |
| CLogP | 3.9295 |
| CLogS | -5.365 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 264.01 |
| Relative PSA | 0.2292 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 0.28164 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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'-[(Z)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)propanediamide | 2 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)propanediamide
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