2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H13N2O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H13N2O2Cl3 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c1ccc(-c(c(Cl)c2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C19H13Cl3N2O2/c20-15-10-17(22)16(21)9-14(15)18-7-6-13(26-18)11-23-24-19(25)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,24,25) |
| InChIK | UQXSWGQALASCMX-UHFFFAOYSA-N |
| TotalMolweight | 407.683 |
| Molweight | 407.683 |
| MonoisotopicMass | 406.004259 |
| CLogP | 5.9566 |
| CLogS | -7.354 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 296.46 |
| Relative PSA | 0.16906 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 6.4874 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-phenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off