(E)-3-phenyl-N-(4-phenyldiazenylphenyl)prop-2-enamide
Formula:C21H17N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-3-phenyl-N-(4-phenyldiazenylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-phenyl-N-(4-phenyldiazenylphenyl)prop-2-enamide |
| MolecularFormula | C21H17N3O |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cc1)ccc1/N=N/c1ccccc1 |
| InChI | InChI=1S/C21H17N3O/c25-21(16-11-17-7-3-1-4-8-17)22-18-12-14-20(15-13-18)24-23-19-9-5-2-6-10-19/h1-16H,(H,22,25) |
| InChIK | DHYCVNULLGWOSW-UHFFFAOYSA-N |
| TotalMolweight | 327.386 |
| Molweight | 327.386 |
| MonoisotopicMass | 327.137162 |
| CLogP | 5.3385 |
| CLogS | -5.99 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.51 |
| Relative PSA | 0.17502 |
| PolarSurfaceArea | 53.82 |
| Druglikeness | -4.9889 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenyl-N-(4-phenyldiazenylphenyl)prop-2-enamide | 2 - (E)-3-phenyl-N-(4-phenyldiazenylphenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off