N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-(1,1,2,2-tetrafluoroethoxy)benzamide
Formula:C17H11N2O4ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-(1,1,2,2-tetrafluoroethoxy)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-(1,1,2,2-tetrafluoroethoxy)benzamide |
| MolecularFormula | C17H11N2O4ClF4 |
| Smiles | O=C(c(cc1)ccc1OC(C(F)F)(F)F)N/N=C\c(cc1OCOc1c1)c1Cl |
| InChI | InChI=1S/C17H11ClF4N2O4/c18-12-6-14-13(26-8-27-14)5-10(12)7-23-24-15(25)9-1-3-11(4-2-9)28-17(21,22)16(19)20/h1-7,16H,8H2,(H,24,25) |
| InChIK | RBQAIPHFQIEPON-UHFFFAOYSA-N |
| TotalMolweight | 418.729 |
| Molweight | 418.729 |
| MonoisotopicMass | 418.034347 |
| CLogP | 4.733 |
| CLogS | -6.622 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 280.98 |
| Relative PSA | 0.23493 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -7.2891 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-(1,1,2,2-tetrafluoroethoxy)benzamide | 2 - N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-(1,1,2,2-tetrafluoroethoxy)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off