(E)-3-(4-nitrophenyl)prop-2-enamide
Formula:C9H8N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C9H8N2O3 |
| Smiles | NC(/C=C/c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C9H8N2O3/c10-9(12)6-3-7-1-4-8(5-2-7)11(13)14/h1-6H,(H2,10,12) |
| InChIK | OAAPPUXSAOJJCV-UHFFFAOYSA-N |
| TotalMolweight | 192.174 |
| Molweight | 192.174 |
| MonoisotopicMass | 192.053493 |
| CLogP | 0.1545 |
| CLogS | -2.535 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 149.7 |
| Relative PSA | 0.39232 |
| PolarSurfaceArea | 88.91 |
| Druglikeness | -6.2858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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