N-[(Z)-anthracen-9-ylmethylideneamino]-4-(benzenesulfonamido)benzamide
Formula:C28H21N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-4-(benzenesulfonamido)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-4-(benzenesulfonamido)benzamide |
| MolecularFormula | C28H21N3O3S |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C28H21N3O3S/c32-28(20-14-16-23(17-15-20)31-35(33,34)24-10-2-1-3-11-24)30-29-19-27-25-12-6-4-8-21(25)18-22-9-5-7-13-26(22)27/h1-19,31H,(H,30,32) |
| InChIK | WOSZPUUNSQKEEN-UHFFFAOYSA-N |
| TotalMolweight | 479.559 |
| Molweight | 479.559 |
| MonoisotopicMass | 479.130362 |
| CLogP | 5.8895 |
| CLogS | -8.266 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 355.99 |
| Relative PSA | 0.21363 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | -3.1445 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 11 |
| Amides | 1 |
| StereoCon |
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