2-amino-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C13H12N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C13H12N4O |
| Smiles | Nc(cccc1)c1C(N/N=C\c1cnccc1)=O |
| InChI | InChI=1S/C13H12N4O/c14-12-6-2-1-5-11(12)13(18)17-16-9-10-4-3-7-15-8-10/h1-9H,14H2,(H,17,18) |
| InChIK | XMJUQMHMQHYYSZ-UHFFFAOYSA-N |
| TotalMolweight | 240.265 |
| Molweight | 240.265 |
| MonoisotopicMass | 240.101111 |
| CLogP | 1.5234 |
| CLogS | -3.002 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 194.27 |
| Relative PSA | 0.32043 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | 4.3905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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