N'-chloro-N-phenylpyridine-2-carboximidamide
Formula:C12H10N3Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N'-chloro-N-phenylpyridine-2-carboximidamide is a drug-like molecule.
| MolName | N'-chloro-N-phenylpyridine-2-carboximidamide |
| MolecularFormula | C12H10N3Cl |
| Smiles | Cl/N=C(/c1ncccc1)\Nc1ccccc1 |
| InChI | InChI=1S/C12H10ClN3/c13-16-12(11-8-4-5-9-14-11)15-10-6-2-1-3-7-10/h1-9H,(H,15,16) |
| InChIK | BOPOZYNWSIMOHU-UHFFFAOYSA-N |
| TotalMolweight | 231.685 |
| Molweight | 231.685 |
| MonoisotopicMass | 231.056324 |
| CLogP | 0.7214 |
| CLogS | -2.98 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 181.63 |
| Relative PSA | 0.18686 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -0.13417 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | Cl,Br,I on N,O,P,S,Se,I |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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