N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]aniline
Formula:C14H11N3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]aniline |
| MolecularFormula | C14H11N3S |
| Smiles | C(c1nc(cccc2)c2s1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)17-15-10-14-16-12-8-4-5-9-13(12)18-14/h1-10,17H |
| InChIK | HQPNSDYDYJDSHY-UHFFFAOYSA-N |
| TotalMolweight | 253.328 |
| Molweight | 253.328 |
| MonoisotopicMass | 253.067367 |
| CLogP | 4.8481 |
| CLogS | -3.413 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 198.54 |
| Relative PSA | 0.2735 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.39 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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