N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C14H9N3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C14H9N3ClFS |
| Smiles | Fc1cccc(Cl)c1/C=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C14H9ClFN3S/c15-10-4-3-5-11(16)9(10)8-17-19-14-18-12-6-1-2-7-13(12)20-14/h1-8H,(H,18,19) |
| InChIK | SFUKDBJCMMOBBG-UHFFFAOYSA-N |
| TotalMolweight | 305.763 |
| Molweight | 305.763 |
| MonoisotopicMass | 305.018972 |
| CLogP | 6.3501 |
| CLogS | -5.166 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 220.31 |
| Relative PSA | 0.24647 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 1.2752 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off