(E)-N-(5-nitro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
Formula:C12H9N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(5-nitro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(5-nitro-1,3-thiazol-2-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C12H9N3O3S |
| Smiles | [O-][N+](c1cnc(NC(/C=C/c2ccccc2)=O)s1)=O |
| InChI | InChI=1S/C12H9N3O3S/c16-10(7-6-9-4-2-1-3-5-9)14-12-13-8-11(19-12)15(17)18/h1-8H,(H,13,14,16) |
| InChIK | ZZFMYKFCECXAMQ-UHFFFAOYSA-N |
| TotalMolweight | 275.287 |
| Molweight | 275.287 |
| MonoisotopicMass | 275.036462 |
| CLogP | 2.0296 |
| CLogS | -3.841 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 207.1 |
| Relative PSA | 0.41647 |
| PolarSurfaceArea | 116.05 |
| Druglikeness | -4.9026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! thiazol-2-ylamine |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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