(E)-3-(5-nitrothiophen-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
Formula:C19H14N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(5-nitrothiophen-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(5-nitrothiophen-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide |
| MolecularFormula | C19H14N2O4S |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc(cccc2)c2Oc2ccccc2)=O)s1)=O |
| InChI | InChI=1S/C19H14N2O4S/c22-18(12-10-15-11-13-19(26-15)21(23)24)20-16-8-4-5-9-17(16)25-14-6-2-1-3-7-14/h1-13H,(H,20,22) |
| InChIK | MGPLRVITZMBESN-UHFFFAOYSA-N |
| TotalMolweight | 366.396 |
| Molweight | 366.396 |
| MonoisotopicMass | 366.067428 |
| CLogP | 3.6665 |
| CLogS | -6.415 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.1 |
| Relative PSA | 0.30665 |
| PolarSurfaceArea | 112.39 |
| Druglikeness | -3.9146 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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