2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
Formula:C19H14N2OBr2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H14N2OBr2 |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C19H14Br2N2O/c20-15-8-5-13(6-9-15)12-22-23-19(24)11-14-7-10-18(21)17-4-2-1-3-16(14)17/h1-10,12H,11H2,(H,23,24) |
| InChIK | LFHRHOJELCHYCQ-UHFFFAOYSA-N |
| TotalMolweight | 446.141 |
| Molweight | 446.141 |
| MonoisotopicMass | 443.947285 |
| CLogP | 5.8445 |
| CLogS | -6.96 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.61 |
| Relative PSA | 0.13209 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.5805 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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