(E)-N-(2-chloro-4-nitrophenyl)-3-thiophen-2-ylprop-2-enamide
Formula:C13H9N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-chloro-4-nitrophenyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-chloro-4-nitrophenyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C13H9N2O3ClS |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1NC(/C=C/c1cccs1)=O)=O |
| InChI | InChI=1S/C13H9ClN2O3S/c14-11-8-9(16(18)19)3-5-12(11)15-13(17)6-4-10-2-1-7-20-10/h1-8H,(H,15,17) |
| InChIK | ZRPGGCPXJFXSHZ-UHFFFAOYSA-N |
| TotalMolweight | 308.744 |
| Molweight | 308.744 |
| MonoisotopicMass | 308.00224 |
| CLogP | 2.6873 |
| CLogS | -4.704 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 223.76 |
| Relative PSA | 0.33643 |
| PolarSurfaceArea | 103.16 |
| Druglikeness | -3.3387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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