4-amino-N'-anilino-N-phenyliminobenzenecarboximidamide
Formula:C19H17N5
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
4-amino-N'-anilino-N-phenyliminobenzenecarboximidamide is not a drug-like molecule.
| MolName | 4-amino-N'-anilino-N-phenyliminobenzenecarboximidamide |
| MolecularFormula | C19H17N5 |
| Smiles | Nc(cc1)ccc1/C(/N=N/c1ccccc1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C19H17N5/c20-16-13-11-15(12-14-16)19(23-21-17-7-3-1-4-8-17)24-22-18-9-5-2-6-10-18/h1-14,21H,20H2/b23-19?,24-22+ |
| InChIK | UJKGDBVDAGFHAN-KSQZLRTGSA-N |
| TotalMolweight | 315.379 |
| Molweight | 315.379 |
| MonoisotopicMass | 315.148395 |
| CLogP | 5.8778 |
| CLogS | -5.034 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.75 |
| Relative PSA | 0.23675 |
| PolarSurfaceArea | 75.13 |
| Druglikeness | -3.2516 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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