(4Z)-2-(3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
Formula:C15H9N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(3-nitrophenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C15H9N3O4 |
| Smiles | [O-][N+](c1cc(C(OC2=O)=N/C2=C\c2cnccc2)ccc1)=O |
| InChI | InChI=1S/C15H9N3O4/c19-15-13(7-10-3-2-6-16-9-10)17-14(22-15)11-4-1-5-12(8-11)18(20)21/h1-9H |
| InChIK | PWMARTLMPBLXCY-UHFFFAOYSA-N |
| TotalMolweight | 295.253 |
| Molweight | 295.253 |
| MonoisotopicMass | 295.059307 |
| CLogP | 0.6693 |
| CLogS | -3.584 |
| H Acceptors | 7 |
| TotalSurfaceArea | 217.38 |
| Relative PSA | 0.34934 |
| PolarSurfaceArea | 97.37 |
| Druglikeness | -4.1696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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