4-bromo-N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
Formula:C17H11N3O3Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H11N3O3Br2 |
| Smiles | [O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=N\Nc(cc2)ccc2Br)o1)=O |
| InChI | InChI=1S/C17H11Br2N3O3/c18-11-1-3-12(4-2-11)21-20-10-14-6-8-17(25-14)15-7-5-13(22(23)24)9-16(15)19/h1-10,21H |
| InChIK | VCLKUZJNDSFUAC-UHFFFAOYSA-N |
| TotalMolweight | 465.1 |
| Molweight | 465.1 |
| MonoisotopicMass | 462.916714 |
| CLogP | 6.3086 |
| CLogS | -6.737 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.62 |
| Relative PSA | 0.2414 |
| PolarSurfaceArea | 83.35 |
| Druglikeness | -2.5651 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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