N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C20H13N3O4ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C20H13N3O4ClF3 |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=N\NC(Cc2cc(C(F)(F)F)ccc2)=O)o1)=O |
| InChI | InChI=1S/C20H13ClF3N3O4/c21-17-10-14(27(29)30)4-6-16(17)18-7-5-15(31-18)11-25-26-19(28)9-12-2-1-3-13(8-12)20(22,23)24/h1-8,10-11H,9H2,(H,26,28) |
| InChIK | WHTSKYBFYZHTOF-UHFFFAOYSA-N |
| TotalMolweight | 451.787 |
| Molweight | 451.787 |
| MonoisotopicMass | 451.054668 |
| CLogP | 4.6713 |
| CLogS | -7.12 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 318.75 |
| Relative PSA | 0.25267 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -5.7576 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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