3-chloro-N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
Formula:C18H12N2O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-chloro-N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H12N2O2Cl2S |
| Smiles | O=C(c1cccc(Cl)c1)N/N=C\c(o1)ccc1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C18H12Cl2N2O2S/c19-13-4-7-16(8-5-13)25-17-9-6-15(24-17)11-21-22-18(23)12-2-1-3-14(20)10-12/h1-11H,(H,22,23) |
| InChIK | WAUWWBJDYUELJN-UHFFFAOYSA-N |
| TotalMolweight | 391.277 |
| Molweight | 391.277 |
| MonoisotopicMass | 389.999652 |
| CLogP | 5.5208 |
| CLogS | -6.424 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.77 |
| Relative PSA | 0.23742 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | 6.7151 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| 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 |
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