N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
Formula:C17H12N3O5BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C17H12N3O5BrS |
| Smiles | [O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=N\NS(c2ccccc2)(=O)=O)o1)=O |
| InChI | InChI=1S/C17H12BrN3O5S/c18-16-10-12(21(22)23)6-8-15(16)17-9-7-13(26-17)11-19-20-27(24,25)14-4-2-1-3-5-14/h1-11,20H |
| InChIK | RXNKDPHEGOANTR-UHFFFAOYSA-N |
| TotalMolweight | 450.268 |
| Molweight | 450.268 |
| MonoisotopicMass | 448.968103 |
| CLogP | 3.0196 |
| CLogS | -4.67 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 289.57 |
| Relative PSA | 0.3318 |
| PolarSurfaceArea | 125.87 |
| Druglikeness | -11.085 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| 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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