N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridin-2-amine
Formula:C14H13N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]pyridin-2-amine |
| MolecularFormula | C14H13N3 |
| Smiles | C(/C=N\Nc1ncccc1)=C/c1ccccc1 |
| InChI | InChI=1S/C14H13N3/c1-2-7-13(8-3-1)9-6-12-16-17-14-10-4-5-11-15-14/h1-12H,(H,15,17) |
| InChIK | CITCEBRFNSOUAT-UHFFFAOYSA-N |
| TotalMolweight | 223.278 |
| Molweight | 223.278 |
| MonoisotopicMass | 223.110947 |
| CLogP | 4.2097 |
| CLogS | -3.171 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 194.5 |
| Relative PSA | 0.1745 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.2952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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