(4Z)-2-(4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H9N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H9N3O6 |
| Smiles | [O-][N+](c1ccc(/C=C2\N=C(c(cc3)ccc3[N+]([O-])=O)OC2=O)cc1)=O |
| InChI | InChI=1S/C16H9N3O6/c20-16-14(9-10-1-5-12(6-2-10)18(21)22)17-15(25-16)11-3-7-13(8-4-11)19(23)24/h1-9H |
| InChIK | UJHUBBOQWDIWCG-UHFFFAOYSA-N |
| TotalMolweight | 339.262 |
| Molweight | 339.262 |
| MonoisotopicMass | 339.049137 |
| CLogP | 0.7486 |
| CLogS | -4.839 |
| H Acceptors | 9 |
| TotalSurfaceArea | 242.29 |
| Relative PSA | 0.3937 |
| PolarSurfaceArea | 130.3 |
| Druglikeness | -4.1696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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