N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridin-2-amine
Formula:C12H11N3O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridin-2-amine |
| MolecularFormula | C12H11N3O |
| Smiles | C(/C=N\Nc1ncccc1)=C/c1ccco1 |
| InChI | InChI=1S/C12H11N3O/c1-2-8-13-12(7-1)15-14-9-3-5-11-6-4-10-16-11/h1-10H,(H,13,15) |
| InChIK | JCKFWGUZPODCQJ-UHFFFAOYSA-N |
| TotalMolweight | 213.239 |
| Molweight | 213.239 |
| MonoisotopicMass | 213.090212 |
| CLogP | 3.3984 |
| CLogS | -2.853 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 184.19 |
| Relative PSA | 0.26087 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 1.8725 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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