(E)-3-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
Formula:C21H16N3OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-3-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide |
| MolecularFormula | C21H16N3OCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(cc1)ccc1/N=N/c1ccccc1 |
| InChI | InChI=1S/C21H16ClN3O/c22-17-9-6-16(7-10-17)8-15-21(26)23-18-11-13-20(14-12-18)25-24-19-4-2-1-3-5-19/h1-15H,(H,23,26) |
| InChIK | ZNKDAPBBXOBRDF-UHFFFAOYSA-N |
| TotalMolweight | 361.831 |
| Molweight | 361.831 |
| MonoisotopicMass | 361.098189 |
| CLogP | 5.9445 |
| CLogS | -6.726 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.93 |
| Relative PSA | 0.16562 |
| PolarSurfaceArea | 53.82 |
| Druglikeness | -4.9129 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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