N'-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C20H13N3O3ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C20H13N3O3ClF3 |
| Smiles | O=C(C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C20H13ClF3N3O3/c21-14-5-1-3-12(9-14)17-8-7-16(30-17)11-25-27-19(29)18(28)26-15-6-2-4-13(10-15)20(22,23)24/h1-11H,(H,26,28)(H,27,29) |
| InChIK | PKVHCPKKAGLMHB-UHFFFAOYSA-N |
| TotalMolweight | 435.788 |
| Molweight | 435.788 |
| MonoisotopicMass | 435.059753 |
| CLogP | 4.5371 |
| CLogS | -6.499 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 310.53 |
| Relative PSA | 0.2403 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | -1.5212 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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