N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-3-(trifluoromethyl)aniline
Formula:C15H10N3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-3-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzothiazol-2-ylmethylideneamino]-3-(trifluoromethyl)aniline |
| MolecularFormula | C15H10N3F3S |
| Smiles | FC(c1cccc(N/N=C\c2nc(cccc3)c3s2)c1)(F)F |
| InChI | InChI=1S/C15H10F3N3S/c16-15(17,18)10-4-3-5-11(8-10)21-19-9-14-20-12-6-1-2-7-13(12)22-14/h1-9,21H |
| InChIK | QWRNBQFJQIYCND-UHFFFAOYSA-N |
| TotalMolweight | 321.325 |
| Molweight | 321.325 |
| MonoisotopicMass | 321.054751 |
| CLogP | 5.6964 |
| CLogS | -4.191 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228 |
| Relative PSA | 0.23816 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -3.8 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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