N-(2-chlorophenyl)-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
Formula:C19H14N4O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide is not a drug-like molecule.
| MolName | N-(2-chlorophenyl)-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide |
| MolecularFormula | C19H14N4O4Cl2S |
| Smiles | [O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C\c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C19H14Cl2N4O4S/c20-15-6-2-1-5-13(15)12-22-23-18-10-9-14(25(26)27)11-19(18)30(28,29)24-17-8-4-3-7-16(17)21/h1-12,23-24H |
| InChIK | VFBUZBJWKUYUIV-UHFFFAOYSA-N |
| TotalMolweight | 465.316 |
| Molweight | 465.316 |
| MonoisotopicMass | 464.01128 |
| CLogP | 5.4304 |
| CLogS | -6.414 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 323.55 |
| Relative PSA | 0.28877 |
| PolarSurfaceArea | 124.76 |
| Druglikeness | -2.5196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(2-chlorophenyl)-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide | 2 - N-(2-chlorophenyl)-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
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