N-[(Z)-anthracen-9-ylmethylideneamino]-4-bromobenzamide
Formula:C22H15N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-4-bromobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-4-bromobenzamide |
| MolecularFormula | C22H15N2OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C22H15BrN2O/c23-18-11-9-15(10-12-18)22(26)25-24-14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14H,(H,25,26) |
| InChIK | UWHXYYVBHSDHQL-UHFFFAOYSA-N |
| TotalMolweight | 403.278 |
| Molweight | 403.278 |
| MonoisotopicMass | 402.036774 |
| CLogP | 6.3156 |
| CLogS | -7.767 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 274.82 |
| Relative PSA | 0.13103 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6787 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 8 |
| StereoCon |
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