2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
Formula:C19H14N2OBrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H14N2OBrCl |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C19H14BrClN2O/c20-17-10-9-13(15-6-2-3-7-16(15)17)11-19(24)23-22-12-14-5-1-4-8-18(14)21/h1-10,12H,11H2,(H,23,24) |
| InChIK | DSIHKSWFDUWCJA-UHFFFAOYSA-N |
| TotalMolweight | 401.69 |
| Molweight | 401.69 |
| MonoisotopicMass | 399.997801 |
| CLogP | 5.7253 |
| CLogS | -6.862 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.4 |
| Relative PSA | 0.13367 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6005 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| 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 |
| StereoCon |
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