N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
Formula:C16H11N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C16H11N2O3Br |
| Smiles | O=C(c1ccco1)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C16H11BrN2O3/c17-12-5-3-11(4-6-12)14-8-7-13(22-14)10-18-19-16(20)15-2-1-9-21-15/h1-10H,(H,19,20) |
| InChIK | LUMOFXLJZJAOFD-UHFFFAOYSA-N |
| TotalMolweight | 359.178 |
| Molweight | 359.178 |
| MonoisotopicMass | 357.995304 |
| CLogP | 4.0544 |
| CLogS | -5.697 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.76 |
| Relative PSA | 0.26242 |
| PolarSurfaceArea | 67.74 |
| Druglikeness | 4.4835 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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