3-nitro-4-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzenesulfonamide
Formula:C25H21N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-4-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzenesulfonamide is not a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C25H21N5O4S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1)(=O)=O |
| InChI | InChI=1S/C25H21N5O4S/c26-35(33,34)23-15-16-24(25(17-23)30(31)32)28-27-18-19-11-13-22(14-12-19)29(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-18,28H,(H2,26,33,34) |
| InChIK | FGWJSOJYTRTVKF-UHFFFAOYSA-N |
| TotalMolweight | 487.539 |
| Molweight | 487.539 |
| MonoisotopicMass | 487.131425 |
| CLogP | 5.2777 |
| CLogS | -7.684 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 359.83 |
| Relative PSA | 0.2801 |
| PolarSurfaceArea | 141.99 |
| Druglikeness | -6.6206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 11 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-nitro-4-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzenesulfonamide | 2 - 3-nitro-4-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzenesulfonamide
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