N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
Formula:C18H11N2O3BrClIS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide |
| MolecularFormula | C18H11N2O3BrClIS |
| Smiles | Oc(cc(cc1)C(N/N=C\c(o2)cc(Br)c2Sc(cc2)ccc2Cl)=O)c1I |
| InChI | InChI=1S/C18H11BrClIN2O3S/c19-14-8-12(26-18(14)27-13-4-2-11(20)3-5-13)9-22-23-17(25)10-1-6-15(21)16(24)7-10/h1-9,24H,(H,23,25) |
| InChIK | WUSNEHYNSLVYBQ-UHFFFAOYSA-N |
| TotalMolweight | 577.619 |
| Molweight | 577.619 |
| MonoisotopicMass | 575.840699 |
| CLogP | 5.7314 |
| CLogS | -7.242 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 320.61 |
| Relative PSA | 0.25174 |
| PolarSurfaceArea | 100.13 |
| Druglikeness | -0.16357 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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