[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Formula:C24H22N4O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.
| MolName | [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate |
| MolecularFormula | C24H22N4O5S |
| Smiles | O=C(COC(CNS(/C=C/c1ccccc1)(=O)=O)=O)Nc(cc1)ccc1/N=N/c1ccccc1 |
| InChI | InChI=1S/C24H22N4O5S/c29-23(26-20-11-13-22(14-12-20)28-27-21-9-5-2-6-10-21)18-33-24(30)17-25-34(31,32)16-15-19-7-3-1-4-8-19/h1-16,25H,17-18H2,(H,26,29) |
| InChIK | KYVXUDQFPNAHSD-UHFFFAOYSA-N |
| TotalMolweight | 478.528 |
| Molweight | 478.528 |
| MonoisotopicMass | 478.131091 |
| CLogP | 3.8634 |
| CLogS | -6.268 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 366.82 |
| Relative PSA | 0.30151 |
| PolarSurfaceArea | 134.67 |
| Druglikeness | -18.846 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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1 - [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
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