N-[(Z)-anthracen-9-ylmethylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C31H21N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-anthracen-9-ylmethylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C31H21N3O |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C31H21N3O/c35-31(27-19-30(21-10-2-1-3-11-21)33-29-17-9-8-16-26(27)29)34-32-20-28-24-14-6-4-12-22(24)18-23-13-5-7-15-25(23)28/h1-20H,(H,34,35) |
| InChIK | PZASICHLGKOBHY-UHFFFAOYSA-N |
| TotalMolweight | 451.528 |
| Molweight | 451.528 |
| MonoisotopicMass | 451.168462 |
| CLogP | 7.6566 |
| CLogS | -9.417 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 349.31 |
| Relative PSA | 0.13449 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4687 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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