2-(4-bromophenyl)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H14N2O2BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-bromophenyl)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N2O2BrCl |
| Smiles | O=C(Cc(cc1)ccc1Br)N/N=C\c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C19H14BrClN2O2/c20-15-5-1-13(2-6-15)11-19(24)23-22-12-17-9-10-18(25-17)14-3-7-16(21)8-4-14/h1-10,12H,11H2,(H,23,24) |
| InChIK | SQOSCQBTJKWELJ-UHFFFAOYSA-N |
| TotalMolweight | 417.689 |
| Molweight | 417.689 |
| MonoisotopicMass | 415.992716 |
| CLogP | 5.4698 |
| CLogS | -6.716 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.25 |
| Relative PSA | 0.17632 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.6974 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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