3,5-dibromo-4-hydroxy-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H11N3O5Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3,5-dibromo-4-hydroxy-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3,5-dibromo-4-hydroxy-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H11N3O5Br2 |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\NC(c(cc3Br)cc(Br)c3O)=O)o2)c1)=O |
| InChI | InChI=1S/C18H11Br2N3O5/c19-14-7-11(8-15(20)17(14)24)18(25)22-21-9-13-4-5-16(28-13)10-2-1-3-12(6-10)23(26)27/h1-9,24H,(H,22,25) |
| InChIK | QGDWKJFVTKTTBG-UHFFFAOYSA-N |
| TotalMolweight | 509.109 |
| Molweight | 509.109 |
| MonoisotopicMass | 506.906544 |
| CLogP | 4.3236 |
| CLogS | -7.013 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 303.72 |
| Relative PSA | 0.30831 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | -0.41469 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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