N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C16H11N2O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C16H11N2O3F3 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C16H11F3N2O3/c17-16(18,19)12-4-2-1-3-11(12)8-20-21-15(22)10-5-6-13-14(7-10)24-9-23-13/h1-8H,9H2,(H,21,22) |
| InChIK | FLJFZNXASABUKI-UHFFFAOYSA-N |
| TotalMolweight | 336.268 |
| Molweight | 336.268 |
| MonoisotopicMass | 336.072177 |
| CLogP | 4.1613 |
| CLogS | -5.21 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.71 |
| Relative PSA | 0.23662 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -2.9522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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