(E)-N-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-enamide
Formula:C15H11N2O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C15H11N2O3Br |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc(cc2)ccc2Br)=O)cc1)=O |
| InChI | InChI=1S/C15H11BrN2O3/c16-12-4-6-13(7-5-12)17-15(19)10-3-11-1-8-14(9-2-11)18(20)21/h1-10H,(H,17,19) |
| InChIK | SQBVEYQEWDHDIT-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 | high |
| 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 |
Click to Load Molecule:
1 - (E)-N-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-enamide | 2 - (E)-N-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off