3-nitro-4-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-N-phenylbenzenesulfonamide
Formula:C17H13N5O7S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-nitro-4-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-N-phenylbenzenesulfonamide is not a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-N-phenylbenzenesulfonamide |
| MolecularFormula | C17H13N5O7S |
| Smiles | [O-][N+](c1ccc(/C=N\Nc(ccc(S(Nc2ccccc2)(=O)=O)c2)c2[N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C17H13N5O7S/c23-21(24)16-10-14(30(27,28)20-12-4-2-1-3-5-12)7-8-15(16)19-18-11-13-6-9-17(29-13)22(25)26/h1-11,19-20H |
| InChIK | QMAXODZGGVRIDD-UHFFFAOYSA-N |
| TotalMolweight | 431.384 |
| Molweight | 431.384 |
| MonoisotopicMass | 431.05357 |
| CLogP | 2.8369 |
| CLogS | -5.609 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 306.07 |
| Relative PSA | 0.45075 |
| PolarSurfaceArea | 183.72 |
| Druglikeness | -0.83564 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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