2,4-diamino-5-[(Z)-(phenylhydrazinylidene)methyl]benzaldehyde
Formula:C14H14N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,4-diamino-5-[(Z)-(phenylhydrazinylidene)methyl]benzaldehyde is a drug-like molecule.
| MolName | 2,4-diamino-5-[(Z)-(phenylhydrazinylidene)methyl]benzaldehyde |
| MolecularFormula | C14H14N4O |
| Smiles | Nc1cc(N)c(C=O)cc1/C=N\Nc1ccccc1 |
| InChI | InChI=1S/C14H14N4O/c15-13-7-14(16)11(9-19)6-10(13)8-17-18-12-4-2-1-3-5-12/h1-9,18H,15-16H2 |
| InChIK | OLBTZHWNRLHWJK-UHFFFAOYSA-N |
| TotalMolweight | 254.292 |
| Molweight | 254.292 |
| MonoisotopicMass | 254.116761 |
| CLogP | 3.4196 |
| CLogS | -3.625 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 205.82 |
| Relative PSA | 0.32334 |
| PolarSurfaceArea | 93.5 |
| Druglikeness | -0.059992 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,3-diamino-aryl; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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