N-[(Z)-anthracen-9-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine
Formula:C24H17N3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine |
| MolecularFormula | C24H17N3S |
| Smiles | C(c1c(cccc2)c2cc2ccccc12)=N\Nc1nc(-c2ccccc2)cs1 |
| InChI | InChI=1S/C24H17N3S/c1-2-8-17(9-3-1)23-16-28-24(26-23)27-25-15-22-20-12-6-4-10-18(20)14-19-11-5-7-13-21(19)22/h1-16H,(H,26,27) |
| InChIK | LQCSFUFHRNBLEU-UHFFFAOYSA-N |
| TotalMolweight | 379.486 |
| Molweight | 379.486 |
| MonoisotopicMass | 379.114317 |
| CLogP | 8.6052 |
| CLogS | -7.872 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 292.9 |
| Relative PSA | 0.18539 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.9981 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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