2-[(Z)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
Formula:C19H12N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole is a drug-like molecule.
| MolName | 2-[(Z)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole |
| MolecularFormula | C19H12N2O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=C\c2nc(cccc3)c3o2)o1)=O |
| InChI | InChI=1S/C19H12N2O4/c22-21(23)14-7-5-13(6-8-14)17-11-9-15(24-17)10-12-19-20-16-3-1-2-4-18(16)25-19/h1-12H |
| InChIK | OOPIBQNKYVJHIS-UHFFFAOYSA-N |
| TotalMolweight | 332.314 |
| Molweight | 332.314 |
| MonoisotopicMass | 332.079708 |
| CLogP | 3.7852 |
| CLogS | -5.801 |
| H Acceptors | 6 |
| TotalSurfaceArea | 255.69 |
| Relative PSA | 0.27224 |
| PolarSurfaceArea | 84.99 |
| Druglikeness | -3.9857 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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