N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chloro-2,3,5,6-tetrafluoroaniline
Formula:C14H7N2O2ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chloro-2,3,5,6-tetrafluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chloro-2,3,5,6-tetrafluoroaniline |
| MolecularFormula | C14H7N2O2ClF4 |
| Smiles | Fc(c(N/N=C\c(cc1)cc2c1OCO2)c(c(F)c1Cl)F)c1F |
| InChI | InChI=1S/C14H7ClF4N2O2/c15-9-10(16)12(18)14(13(19)11(9)17)21-20-4-6-1-2-7-8(3-6)23-5-22-7/h1-4,21H,5H2 |
| InChIK | QDTVXNHEACDYIM-UHFFFAOYSA-N |
| TotalMolweight | 346.667 |
| Molweight | 346.667 |
| MonoisotopicMass | 346.013217 |
| CLogP | 5.9615 |
| CLogS | -5.852 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.32 |
| Relative PSA | 0.18657 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | 0.59868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chloro-2,3,5,6-tetrafluoroaniline | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chloro-2,3,5,6-tetrafluoroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off