N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
Formula:C12H11N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide |
| MolecularFormula | C12H11N3O4 |
| Smiles | O=C(CNC(c1ccco1)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C12H11N3O4/c16-11(15-14-7-9-3-1-5-18-9)8-13-12(17)10-4-2-6-19-10/h1-7H,8H2,(H,13,17)(H,15,16) |
| InChIK | VQEMOWFMBNCXDY-UHFFFAOYSA-N |
| TotalMolweight | 261.236 |
| Molweight | 261.236 |
| MonoisotopicMass | 261.074957 |
| CLogP | 0.6627 |
| CLogS | -2.852 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 209.34 |
| Relative PSA | 0.42386 |
| PolarSurfaceArea | 96.84 |
| Druglikeness | 5.445 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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