(E)-N-cyclopropyl-3-(3-nitrophenyl)prop-2-enamide
Formula:C12H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclopropyl-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-cyclopropyl-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C12H12N2O3 |
| Smiles | [O-][N+](c1cc(/C=C/C(NC2CC2)=O)ccc1)=O |
| InChI | InChI=1S/C12H12N2O3/c15-12(13-10-5-6-10)7-4-9-2-1-3-11(8-9)14(16)17/h1-4,7-8,10H,5-6H2,(H,13,15) |
| InChIK | HMRDSJZRFJPHKS-UHFFFAOYSA-N |
| TotalMolweight | 232.238 |
| Molweight | 232.238 |
| MonoisotopicMass | 232.084793 |
| CLogP | 1.0357 |
| CLogS | -3.215 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 179.16 |
| Relative PSA | 0.30654 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -4.1659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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