4-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H11N2O2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H11N2O2BrCl2 |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/c1ccc(-c(cccc2Cl)c2Cl)o1 |
| InChI | InChI=1S/C18H11BrCl2N2O2/c19-12-6-4-11(5-7-12)18(24)23-22-10-13-8-9-16(25-13)14-2-1-3-15(20)17(14)21/h1-10H,(H,23,24) |
| InChIK | CVWYHVVWHSQRMS-UHFFFAOYSA-N |
| TotalMolweight | 438.107 |
| Molweight | 438.107 |
| MonoisotopicMass | 435.938093 |
| CLogP | 6.0777 |
| CLogS | -7.487 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.91 |
| Relative PSA | 0.1753 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.7037 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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