N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C19H13N2O2Br3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C19H13N2O2Br3 |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H13Br3N2O2/c20-15-8-16(21)19(17(22)9-15)26-11-18(25)24-23-10-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2,(H,24,25) |
| InChIK | ATHZDXIKNDWVQH-UHFFFAOYSA-N |
| TotalMolweight | 541.036 |
| Molweight | 541.036 |
| MonoisotopicMass | 537.852711 |
| CLogP | 6.1465 |
| CLogS | -7.609 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.24 |
| Relative PSA | 0.15274 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4066 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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