N-[(Z)-anthracen-9-ylmethylideneamino]-1,3-benzothiazol-2-amine
Formula:C22H15N3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C22H15N3S |
| Smiles | C(c1c(cccc2)c2cc2ccccc12)=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C22H15N3S/c1-3-9-17-15(7-1)13-16-8-2-4-10-18(16)19(17)14-23-25-22-24-20-11-5-6-12-21(20)26-22/h1-14H,(H,24,25) |
| InChIK | LKDLXBLDRRNSKU-UHFFFAOYSA-N |
| TotalMolweight | 353.448 |
| Molweight | 353.448 |
| MonoisotopicMass | 353.098667 |
| CLogP | 8.0321 |
| CLogS | -7.328 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 267.74 |
| Relative PSA | 0.20281 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.6111 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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