N-[(Z)-anthracen-9-ylmethylideneamino]aniline
Formula:C21H16N2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]aniline |
| MolecularFormula | C21H16N2 |
| Smiles | C(c1c(cccc2)c2cc2ccccc12)=N\Nc1ccccc1 |
| InChI | InChI=1S/C21H16N2/c1-2-10-18(11-3-1)23-22-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15,23H |
| InChIK | SBVPDJUXXXXMPQ-UHFFFAOYSA-N |
| TotalMolweight | 296.372 |
| Molweight | 296.372 |
| MonoisotopicMass | 296.131348 |
| CLogP | 7.2297 |
| CLogS | -6.361 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 238.44 |
| Relative PSA | 0.096335 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.4225 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 8 |
| StereoCon |
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