6-chloro-N-[(Z)-[2-chloro-4-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C15H8N3Cl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-[2-chloro-4-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-[2-chloro-4-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C15H8N3Cl2F3S |
| Smiles | FC(c1cc(Cl)c(/C=N\Nc2nc(ccc(Cl)c3)c3s2)cc1)(F)F |
| InChI | InChI=1S/C15H8Cl2F3N3S/c16-10-3-4-12-13(6-10)24-14(22-12)23-21-7-8-1-2-9(5-11(8)17)15(18,19)20/h1-7H,(H,22,23) |
| InChIK | AQFLNFFBDSRAJS-UHFFFAOYSA-N |
| TotalMolweight | 390.216 |
| Molweight | 390.216 |
| MonoisotopicMass | 388.976805 |
| CLogP | 7.7036 |
| CLogS | -6.366 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 258.84 |
| Relative PSA | 0.20978 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -4.5748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-N-[(Z)-[2-chloro-4-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - 6-chloro-N-[(Z)-[2-chloro-4-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off