N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
Formula:C16H12N3O2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide |
| MolecularFormula | C16H12N3O2BrCl2 |
| Smiles | O=C(CC(N/N=C\c(cc1)ccc1Br)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H12BrCl2N3O2/c17-11-3-1-10(2-4-11)9-20-22-16(24)8-15(23)21-12-5-6-13(18)14(19)7-12/h1-7,9H,8H2,(H,21,23)(H,22,24) |
| InChIK | ZDUALHAWTYCGNX-UHFFFAOYSA-N |
| TotalMolweight | 429.1 |
| Molweight | 429.1 |
| MonoisotopicMass | 426.948992 |
| CLogP | 4.5355 |
| CLogS | -6.101 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.43 |
| Relative PSA | 0.21655 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 0.28164 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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