N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzo[g][1]benzothiole-2-carboxamide
Formula:C21H13N2OF3S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzo[g][1]benzothiole-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzo[g][1]benzothiole-2-carboxamide |
| MolecularFormula | C21H13N2OF3S |
| Smiles | O=C(c1cc(ccc2ccccc22)c2s1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C21H13F3N2OS/c22-21(23,24)16-9-5-13(6-10-16)12-25-26-20(27)18-11-15-8-7-14-3-1-2-4-17(14)19(15)28-18/h1-12H,(H,26,27) |
| InChIK | UYLKUFPVBWDIFJ-UHFFFAOYSA-N |
| TotalMolweight | 398.407 |
| Molweight | 398.407 |
| MonoisotopicMass | 398.070067 |
| CLogP | 6.1655 |
| CLogS | -7.454 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 281.59 |
| Relative PSA | 0.20018 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | -1.4533 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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