N-(4-chlorophenyl)-3-nitro-4-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide
Formula:C25H19N4O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-3-nitro-4-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide is not a drug-like molecule.
| MolName | N-(4-chlorophenyl)-3-nitro-4-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C25H19N4O4ClS |
| Smiles | [O-][N+](c(cc(cc1)S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C\c(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C25H19ClN4O4S/c26-21-10-12-22(13-11-21)29-35(33,34)23-14-15-24(25(16-23)30(31)32)28-27-17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-17,28-29H |
| InChIK | WROXESKBYMVUPL-UHFFFAOYSA-N |
| TotalMolweight | 506.969 |
| Molweight | 506.969 |
| MonoisotopicMass | 506.081553 |
| CLogP | 6.4836 |
| CLogS | -7.764 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 367.89 |
| Relative PSA | 0.25396 |
| PolarSurfaceArea | 124.76 |
| Druglikeness | -3.3283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-chlorophenyl)-3-nitro-4-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide | 2 - N-(4-chlorophenyl)-3-nitro-4-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide
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