(E)-3-[5-(3-nitrophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
Formula:C16H11N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(3-nitrophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[5-(3-nitrophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C16H11N3O4S |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=C/C(Nc3nccs3)=O)o2)c1)=O |
| InChI | InChI=1S/C16H11N3O4S/c20-15(18-16-17-8-9-24-16)7-5-13-4-6-14(23-13)11-2-1-3-12(10-11)19(21)22/h1-10H,(H,17,18,20) |
| InChIK | ZEJHXJWFLQWJQX-UHFFFAOYSA-N |
| TotalMolweight | 341.346 |
| Molweight | 341.346 |
| MonoisotopicMass | 341.047027 |
| CLogP | 2.7789 |
| CLogS | -5.151 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 256.55 |
| Relative PSA | 0.39119 |
| PolarSurfaceArea | 129.19 |
| Druglikeness | -3.0824 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! thiazol-2-ylamine |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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