N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]furan-2-carboxamide
Formula:C16H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]furan-2-carboxamide |
| MolecularFormula | C16H15N3O3 |
| Smiles | O=C(CNC(c1ccco1)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C16H15N3O3/c20-15(12-17-16(21)14-9-5-11-22-14)19-18-10-4-8-13-6-2-1-3-7-13/h1-11H,12H2,(H,17,21)(H,19,20) |
| InChIK | FMLFALUQTPJFRX-UHFFFAOYSA-N |
| TotalMolweight | 297.313 |
| Molweight | 297.313 |
| MonoisotopicMass | 297.111342 |
| CLogP | 1.4923 |
| CLogS | -3.462 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 246.15 |
| Relative PSA | 0.30315 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 5.478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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