(E)-N-(4-anilinophenyl)-3-(4-nitrophenyl)prop-2-enamide
Formula:C21H17N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-N-(4-anilinophenyl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-anilinophenyl)-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C21H17N3O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc(cc2)ccc2Nc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C21H17N3O3/c25-21(15-8-16-6-13-20(14-7-16)24(26)27)23-19-11-9-18(10-12-19)22-17-4-2-1-3-5-17/h1-15,22H,(H,23,25) |
| InChIK | QPFYASOVHPEIHC-UHFFFAOYSA-N |
| TotalMolweight | 359.384 |
| Molweight | 359.384 |
| MonoisotopicMass | 359.126992 |
| CLogP | 3.7451 |
| CLogS | -5.536 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 283.62 |
| Relative PSA | 0.23405 |
| PolarSurfaceArea | 86.95 |
| Druglikeness | -5.5383 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(4-anilinophenyl)-3-(4-nitrophenyl)prop-2-enamide | 2 - (E)-N-(4-anilinophenyl)-3-(4-nitrophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off