N-[(E)-pyridin-3-ylmethylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C17H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-pyridin-3-ylmethylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(E)-pyridin-3-ylmethylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C17H14N4O |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C/c1cnccc1 |
| InChI | InChI=1S/C17H14N4O/c22-17(20-19-13-14-6-5-9-18-12-14)15-7-1-2-8-16(15)21-10-3-4-11-21/h1-13H,(H,20,22) |
| InChIK | KPQTVSREKYMIPN-UHFFFAOYSA-N |
| TotalMolweight | 290.325 |
| Molweight | 290.325 |
| MonoisotopicMass | 290.116761 |
| CLogP | 2.3856 |
| CLogS | -5.239 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.71 |
| Relative PSA | 0.22943 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.0948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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