(E)-N-(2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
Formula:C15H11N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C15H11N3O5 |
| Smiles | [O-][N+](c1cccc(/C=C/C(Nc(cccc2)c2[N+]([O-])=O)=O)c1)=O |
| InChI | InChI=1S/C15H11N3O5/c19-15(16-13-6-1-2-7-14(13)18(22)23)9-8-11-4-3-5-12(10-11)17(20)21/h1-10H,(H,16,19) |
| InChIK | XCMFVFGNWSHNMH-UHFFFAOYSA-N |
| TotalMolweight | 313.268 |
| Molweight | 313.268 |
| MonoisotopicMass | 313.069872 |
| CLogP | 1.2931 |
| CLogS | -4.418 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 236.07 |
| Relative PSA | 0.3615 |
| PolarSurfaceArea | 120.74 |
| Druglikeness | -5.5383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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