N'-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yloxamide
Formula:C19H14N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C19H14N3O2Br |
| Smiles | O=C(C(N/N=C\c1cccc(Br)c1)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C19H14BrN3O2/c20-15-8-3-5-13(11-15)12-21-23-19(25)18(24)22-17-10-4-7-14-6-1-2-9-16(14)17/h1-12H,(H,22,24)(H,23,25) |
| InChIK | DKFCMFXZMVTUSL-UHFFFAOYSA-N |
| TotalMolweight | 396.243 |
| Molweight | 396.243 |
| MonoisotopicMass | 395.026938 |
| CLogP | 4.0635 |
| CLogS | -5.965 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 269.43 |
| Relative PSA | 0.22459 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.9578 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yloxamide | 2 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yloxamide
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