1-(4-phenyldiazenylphenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]urea
Formula:C19H16N6O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-(4-phenyldiazenylphenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1-(4-phenyldiazenylphenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]urea |
| MolecularFormula | C19H16N6O |
| Smiles | O=C(Nc(cc1)ccc1/N=N/c1ccccc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C19H16N6O/c26-19(25-21-14-15-10-12-20-13-11-15)22-16-6-8-18(9-7-16)24-23-17-4-2-1-3-5-17/h1-14H,(H2,22,25,26) |
| InChIK | WXHPMDSKRBVBFC-UHFFFAOYSA-N |
| TotalMolweight | 344.377 |
| Molweight | 344.377 |
| MonoisotopicMass | 344.138559 |
| CLogP | 4.3968 |
| CLogS | -5.934 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 279.99 |
| Relative PSA | 0.29094 |
| PolarSurfaceArea | 91.1 |
| Druglikeness | -0.7665 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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