(E)-3-(4-bromophenyl)-N-(4-nitrophenyl)prop-2-enamide
Formula:C15H11N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C15H11N2O3Br |
| Smiles | [O-][N+](c(cc1)ccc1NC(/C=C/c(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C15H11BrN2O3/c16-12-4-1-11(2-5-12)3-10-15(19)17-13-6-8-14(9-7-13)18(20)21/h1-10H,(H,17,19) |
| InChIK | UJQWXZXKRSQPAW-UHFFFAOYSA-N |
| TotalMolweight | 347.167 |
| Molweight | 347.167 |
| MonoisotopicMass | 345.995304 |
| CLogP | 2.9399 |
| CLogS | -4.792 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.03 |
| Relative PSA | 0.23772 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -7.3283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.71429 |
| 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 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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