N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide
Formula:C18H11N2O2BrCl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide |
| MolecularFormula | C18H11N2O2BrCl2S |
| Smiles | O=C(c1cc(Cl)ccc1)N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C18H11BrCl2N2O2S/c19-16-9-14(25-18(16)26-15-6-4-12(20)5-7-15)10-22-23-17(24)11-2-1-3-13(21)8-11/h1-10H,(H,23,24) |
| InChIK | GPHDCCNKVBZQPX-UHFFFAOYSA-N |
| TotalMolweight | 470.173 |
| Molweight | 470.173 |
| MonoisotopicMass | 467.910163 |
| CLogP | 6.246 |
| CLogS | -7.258 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 303.4 |
| Relative PSA | 0.22284 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | -0.5949 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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