N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
Formula:C13H12N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide |
| MolecularFormula | C13H12N4O3 |
| Smiles | O=C(CNC(c1ccncc1)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H12N4O3/c18-12(17-16-8-11-2-1-7-20-11)9-15-13(19)10-3-5-14-6-4-10/h1-8H,9H2,(H,15,19)(H,17,18) |
| InChIK | BBELGMXHFPLVRB-UHFFFAOYSA-N |
| TotalMolweight | 272.263 |
| Molweight | 272.263 |
| MonoisotopicMass | 272.090941 |
| CLogP | 0.4731 |
| CLogS | -2.375 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 218.41 |
| Relative PSA | 0.39188 |
| PolarSurfaceArea | 96.59 |
| Druglikeness | 5.2184 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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