N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C15H10N3OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C15H10N3OF3S |
| Smiles | FC(Oc1ccc(/C=N\Nc2nc(cccc3)c3s2)cc1)(F)F |
| InChI | InChI=1S/C15H10F3N3OS/c16-15(17,18)22-11-7-5-10(6-8-11)9-19-21-14-20-12-3-1-2-4-13(12)23-14/h1-9H,(H,20,21) |
| InChIK | JXWJYJKUWAENPN-UHFFFAOYSA-N |
| TotalMolweight | 337.324 |
| Molweight | 337.324 |
| MonoisotopicMass | 337.049666 |
| CLogP | 6.7423 |
| CLogS | -5.139 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 238 |
| Relative PSA | 0.27017 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | -5.6442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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