N-[(Z)-anthracen-9-ylmethylideneamino]quinoline-2-carboxamide
Formula:C25H17N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]quinoline-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C25H17N3O |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C25H17N3O/c29-25(24-14-13-17-7-3-6-12-23(17)27-24)28-26-16-22-20-10-4-1-8-18(20)15-19-9-2-5-11-21(19)22/h1-16H,(H,28,29) |
| InChIK | GFAZIFURKMFMGH-UHFFFAOYSA-N |
| TotalMolweight | 375.43 |
| Molweight | 375.43 |
| MonoisotopicMass | 375.137162 |
| CLogP | 5.9604 |
| CLogS | -7.663 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.55 |
| Relative PSA | 0.16225 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4687 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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