N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]furan-2-carboxamide
Formula:C17H13N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[[(Z)-furan-2-ylmethylideneamino]carbamoyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C17H13N3O4 |
| Smiles | O=C(c1ccco1)Nc(cccc1)c1C(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C17H13N3O4/c21-16(20-18-11-12-5-3-9-23-12)13-6-1-2-7-14(13)19-17(22)15-8-4-10-24-15/h1-11H,(H,19,22)(H,20,21) |
| InChIK | ISQZOPCATCKOTD-UHFFFAOYSA-N |
| TotalMolweight | 323.307 |
| Molweight | 323.307 |
| MonoisotopicMass | 323.090607 |
| CLogP | 2.7265 |
| CLogS | -4.597 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 255.34 |
| Relative PSA | 0.3475 |
| PolarSurfaceArea | 96.84 |
| Druglikeness | 4.8566 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
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