4-[5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
Formula:C17H14N4O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C17H14N4O5S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\Nc(cc2)ccc2[N+]([O-])=O)o1)(=O)=O |
| InChI | InChI=1S/C17H14N4O5S/c18-27(24,25)16-8-1-12(2-9-16)17-10-7-15(26-17)11-19-20-13-3-5-14(6-4-13)21(22)23/h1-11,20H,(H2,18,24,25) |
| InChIK | LIVPKCAMUNCICG-UHFFFAOYSA-N |
| TotalMolweight | 386.387 |
| Molweight | 386.387 |
| MonoisotopicMass | 386.068491 |
| CLogP | 3.6222 |
| CLogS | -4.968 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 279.46 |
| Relative PSA | 0.39845 |
| PolarSurfaceArea | 151.89 |
| Druglikeness | -5.2972 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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