3-nitro-4-[(2Z)-2-[[3-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzenesulfonamide
Formula:C20H18N8O8S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-4-[(2Z)-2-[[3-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzenesulfonamide is not a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-[[3-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C20H18N8O8S2 |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cccc(/C=N\Nc(ccc(S(N)(=O)=O)c2)c2[N+]([O-])=O)c1)(=O)=O |
| InChI | InChI=1S/C20H18N8O8S2/c21-37(33,34)15-4-6-17(19(9-15)27(29)30)25-23-11-13-2-1-3-14(8-13)12-24-26-18-7-5-16(38(22,35)36)10-20(18)28(31)32/h1-12,25-26H,(H2,21,33,34)(H2,22,35,36) |
| InChIK | LUDSQGZCAHAZNF-UHFFFAOYSA-N |
| TotalMolweight | 562.543 |
| Molweight | 562.543 |
| MonoisotopicMass | 562.068902 |
| CLogP | 3.707 |
| CLogS | -5.4 |
| H Acceptors | 16 |
| H Donors | 4 |
| TotalSurfaceArea | 386.76 |
| Relative PSA | 0.50284 |
| PolarSurfaceArea | 277.5 |
| Druglikeness | -4.6141 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 18 |
| Electronegative Atoms | 18 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 19 |
| Amides | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-nitro-4-[(2Z)-2-[[3-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzenesulfonamide | 2 - 3-nitro-4-[(2Z)-2-[[3-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzenesulfonamide
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