2-anilino-1-phenyliminoguanidine
Formula:C13H13N5
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
2-anilino-1-phenyliminoguanidine is a drug-like molecule.
| MolName | 2-anilino-1-phenyliminoguanidine |
| MolecularFormula | C13H13N5 |
| Smiles | N/C(/N=N/c1ccccc1)=N/Nc1ccccc1 |
| InChI | InChI=1S/C13H13N5/c14-13(17-15-11-7-3-1-4-8-11)18-16-12-9-5-2-6-10-12/h1-10,15H,(H2,14,17)/b18-16+ |
| InChIK | LVRUJRXTYCIIMC-FBMGVBCBSA-N |
| TotalMolweight | 239.281 |
| Molweight | 239.281 |
| MonoisotopicMass | 239.117095 |
| CLogP | 4.4888 |
| CLogS | -4.051 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 198.99 |
| Relative PSA | 0.30785 |
| PolarSurfaceArea | 75.13 |
| Druglikeness | -3.3414 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-anilino-1-phenyliminoguanidine | 2 - 2-anilino-1-phenyliminoguanidine
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