N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C19H11N3O4ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C19H11N3O4ClF3 |
| Smiles | [O-][N+](c(cc(cc1)Cl)c1-c1ccc(/C=N\NC(c2cc(C(F)(F)F)ccc2)=O)o1)=O |
| InChI | InChI=1S/C19H11ClF3N3O4/c20-13-4-6-15(16(9-13)26(28)29)17-7-5-14(30-17)10-24-25-18(27)11-2-1-3-12(8-11)19(21,22)23/h1-10H,(H,25,27) |
| InChIK | UZKWZCIXRJKSKW-UHFFFAOYSA-N |
| TotalMolweight | 437.76 |
| Molweight | 437.76 |
| MonoisotopicMass | 437.039018 |
| CLogP | 4.6732 |
| CLogS | -7.155 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 304.99 |
| Relative PSA | 0.26407 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -5.7763 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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