(E)-N-(2-iodophenyl)-3-(3-nitrophenyl)prop-2-enamide
Formula:C15H11N2O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-iodophenyl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-iodophenyl)-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C15H11N2O3I |
| Smiles | [O-][N+](c1cccc(/C=C/C(Nc(cccc2)c2I)=O)c1)=O |
| InChI | InChI=1S/C15H11IN2O3/c16-13-6-1-2-7-14(13)17-15(19)9-8-11-4-3-5-12(10-11)18(20)21/h1-10H,(H,17,19) |
| InChIK | PJXBVULGNJNOKJ-UHFFFAOYSA-N |
| TotalMolweight | 394.163 |
| Molweight | 394.163 |
| MonoisotopicMass | 393.981441 |
| CLogP | 2.6518 |
| CLogS | -4.974 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 238.68 |
| Relative PSA | 0.2301 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -4.9404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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