1,3-bis[(Z)-pyridin-3-ylmethylideneamino]urea
Formula:C13H12N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-bis[(Z)-pyridin-3-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1,3-bis[(Z)-pyridin-3-ylmethylideneamino]urea |
| MolecularFormula | C13H12N6O |
| Smiles | O=C(N/N=C\c1cnccc1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C13H12N6O/c20-13(18-16-9-11-3-1-5-14-7-11)19-17-10-12-4-2-6-15-8-12/h1-10H,(H2,18,19,20) |
| InChIK | AHWCYPOAKSNDCO-UHFFFAOYSA-N |
| TotalMolweight | 268.279 |
| Molweight | 268.279 |
| MonoisotopicMass | 268.107259 |
| CLogP | 1.5882 |
| CLogS | -3.24 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 220.73 |
| Relative PSA | 0.3666 |
| PolarSurfaceArea | 91.63 |
| Druglikeness | 3.4758 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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