N-[(Z)-2,2,2-trichloroethylideneamino]-1,3-benzothiazol-2-amine
Formula:C9H6N3Cl3S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N-[(Z)-2,2,2-trichloroethylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-2,2,2-trichloroethylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C9H6N3Cl3S |
| Smiles | ClC(/C=N\Nc1nc(cccc2)c2s1)(Cl)Cl |
| InChI | InChI=1S/C9H6Cl3N3S/c10-9(11,12)5-13-15-8-14-6-3-1-2-4-7(6)16-8/h1-5H,(H,14,15) |
| InChIK | AKLPIULTQJIAMK-UHFFFAOYSA-N |
| TotalMolweight | 294.593 |
| Molweight | 294.593 |
| MonoisotopicMass | 292.934798 |
| CLogP | 5.3331 |
| CLogS | -4.069 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 195.45 |
| Relative PSA | 0.27782 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.0829 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-2,2,2-trichloroethylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-2,2,2-trichloroethylideneamino]-1,3-benzothiazol-2-amine
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