N-[(Z)-anthracen-9-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Formula:C27H20N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-anthracen-9-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide |
| MolecularFormula | C27H20N4O |
| Smiles | O=C(c1c(CCc2c-3cccc2)c3n[nH]1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C27H20N4O/c32-27(26-23-14-13-17-7-1-6-12-22(17)25(23)29-30-26)31-28-16-24-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)24/h1-12,15-16H,13-14H2,(H,29,30)(H,31,32) |
| InChIK | QYSJSIRKFILNOR-UHFFFAOYSA-N |
| TotalMolweight | 416.483 |
| Molweight | 416.483 |
| MonoisotopicMass | 416.163711 |
| CLogP | 5.761 |
| CLogS | -7.86 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 318.3 |
| Relative PSA | 0.19155 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.7344 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
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