N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3-bromophenoxy)acetamide
Formula:C23H17N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3-bromophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3-bromophenoxy)acetamide |
| MolecularFormula | C23H17N2O2Br |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H17BrN2O2/c24-18-8-5-9-19(13-18)28-15-23(27)26-25-14-22-20-10-3-1-6-16(20)12-17-7-2-4-11-21(17)22/h1-14H,15H2,(H,26,27) |
| InChIK | LRZTYBFFDVUAPI-UHFFFAOYSA-N |
| TotalMolweight | 433.304 |
| Molweight | 433.304 |
| MonoisotopicMass | 432.047339 |
| CLogP | 5.8905 |
| CLogS | -7.547 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.58 |
| Relative PSA | 0.1541 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4066 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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