3-nitro-4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
Formula:C13H11N5O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide is not a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C13H11N5O6S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c(cccc1)c1[N+]([O-])=O)(=O)=O |
| InChI | InChI=1S/C13H11N5O6S/c14-25(23,24)10-5-6-11(13(7-10)18(21)22)16-15-8-9-3-1-2-4-12(9)17(19)20/h1-8,16H,(H2,14,23,24) |
| InChIK | LITDYGXYPGQNEB-UHFFFAOYSA-N |
| TotalMolweight | 365.325 |
| Molweight | 365.325 |
| MonoisotopicMass | 365.043005 |
| CLogP | 1.7617 |
| CLogS | -3.968 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 253.68 |
| Relative PSA | 0.50323 |
| PolarSurfaceArea | 184.57 |
| Druglikeness | -6.4939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-nitro-4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide | 2 - 3-nitro-4-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off