N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C23H16N2O2BrClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C23H16N2O2BrClS |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H16BrClN2O2S/c24-21-13-18(29-23(21)30-19-10-8-17(25)9-11-19)14-26-27-22(28)12-16-6-3-5-15-4-1-2-7-20(15)16/h1-11,13-14H,12H2,(H,27,28) |
| InChIK | QMOYGQJCXKDFEM-UHFFFAOYSA-N |
| TotalMolweight | 499.815 |
| Molweight | 499.815 |
| MonoisotopicMass | 497.980436 |
| CLogP | 6.8325 |
| CLogS | -8.093 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 336.34 |
| Relative PSA | 0.20102 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | -0.55648 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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