4-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide
Formula:C13H12N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H12N4O4S |
| Smiles | Nc(cc1)ccc1S(N/N=C\c1cc([N+]([O-])=O)ccc1)(=O)=O |
| InChI | InChI=1S/C13H12N4O4S/c14-11-4-6-13(7-5-11)22(20,21)16-15-9-10-2-1-3-12(8-10)17(18)19/h1-9,16H,14H2 |
| InChIK | UWWSJFQWJFIHJP-UHFFFAOYSA-N |
| TotalMolweight | 320.328 |
| Molweight | 320.328 |
| MonoisotopicMass | 320.057926 |
| CLogP | 0.6782 |
| CLogS | -2.452 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 230.01 |
| Relative PSA | 0.42276 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -0.71268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide | 2 - 4-amino-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide
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