3-amino-N'-pyridin-2-ylbenzenecarboximidamide
Formula:C12H12N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-amino-N'-pyridin-2-ylbenzenecarboximidamide is a drug-like molecule.
| MolName | 3-amino-N'-pyridin-2-ylbenzenecarboximidamide |
| MolecularFormula | C12H12N4 |
| Smiles | N/C(/c1cc(N)ccc1)=N\c1ncccc1 |
| InChI | InChI=1S/C12H12N4/c13-10-5-3-4-9(8-10)12(14)16-11-6-1-2-7-15-11/h1-8H,13H2,(H2,14,15,16) |
| InChIK | MFSUHZWDORLAOZ-UHFFFAOYSA-N |
| TotalMolweight | 212.255 |
| Molweight | 212.255 |
| MonoisotopicMass | 212.106196 |
| CLogP | 0.8606 |
| CLogS | -2.729 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 171.79 |
| Relative PSA | 0.30863 |
| PolarSurfaceArea | 77.29 |
| Druglikeness | -0.93417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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