2-chloro-5-iodo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
Formula:C19H11N2O2ClF3I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-iodo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-chloro-5-iodo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H11N2O2ClF3I |
| Smiles | O=C(c(cc(cc1)I)c1Cl)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C19H11ClF3IN2O2/c20-16-6-4-13(24)9-15(16)18(27)26-25-10-14-5-7-17(28-14)11-2-1-3-12(8-11)19(21,22)23/h1-10H,(H,26,27) |
| InChIK | OZYWJQWPKNFHEK-UHFFFAOYSA-N |
| TotalMolweight | 518.655 |
| Molweight | 518.655 |
| MonoisotopicMass | 517.950587 |
| CLogP | 6.0319 |
| CLogS | -7.711 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.6 |
| Relative PSA | 0.16294 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -0.31415 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-chloro-5-iodo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide | 2 - 2-chloro-5-iodo-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
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