N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide
Formula:C17H13N2O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C17H13N2O3F3 |
| Smiles | O=C(c1cccc(C(F)(F)F)c1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C17H13F3N2O3/c18-17(19,20)13-3-1-2-12(9-13)16(23)22-21-10-11-4-5-14-15(8-11)25-7-6-24-14/h1-5,8-10H,6-7H2,(H,22,23) |
| InChIK | YSGWLADDOBONHE-UHFFFAOYSA-N |
| TotalMolweight | 350.295 |
| Molweight | 350.295 |
| MonoisotopicMass | 350.087827 |
| CLogP | 4.0287 |
| CLogS | -4.681 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.47 |
| Relative PSA | 0.22362 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -10.049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(trifluoromethyl)benzamide
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