2-hydroxy-5-[[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]benzoic acid
Formula:C23H16N4O8S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-5-[[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]benzoic acid is not a drug-like molecule.
| MolName | 2-hydroxy-5-[[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]benzoic acid |
| MolecularFormula | C23H16N4O8S |
| Smiles | [O-][N+](c1ccc(/C=C(/C2=O)\N=C(c3ccccc3)N2NS(c(cc2)cc(C(O)=O)c2O)(=O)=O)cc1)=O |
| InChI | InChI=1S/C23H16N4O8S/c28-20-11-10-17(13-18(20)23(30)31)36(34,35)25-26-21(15-4-2-1-3-5-15)24-19(22(26)29)12-14-6-8-16(9-7-14)27(32)33/h1-13,25,28H,(H,30,31) |
| InChIK | NHIHZIGHSSJEOE-UHFFFAOYSA-N |
| TotalMolweight | 508.466 |
| Molweight | 508.466 |
| MonoisotopicMass | 508.068886 |
| CLogP | 0.0095999 |
| CLogS | -3.339 |
| H Acceptors | 12 |
| H Donors | 3 |
| TotalSurfaceArea | 349.17 |
| Relative PSA | 0.39465 |
| PolarSurfaceArea | 190.57 |
| Druglikeness | -6.5804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-hydroxy-5-[[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]benzoic acid | 2 - 2-hydroxy-5-[[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]benzoic acid
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