N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide
Formula:C13H11N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-3-carboxamide |
| MolecularFormula | C13H11N3O2 |
| Smiles | O=C(c1cnccc1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C13H11N3O2/c17-13(11-4-1-7-14-10-11)16-15-8-2-5-12-6-3-9-18-12/h1-10H,(H,16,17) |
| InChIK | CTXDMWBPCBADRF-UHFFFAOYSA-N |
| TotalMolweight | 241.249 |
| Molweight | 241.249 |
| MonoisotopicMass | 241.085127 |
| CLogP | 1.4077 |
| CLogS | -2.9 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 201.94 |
| Relative PSA | 0.30252 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 4.1634 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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