N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
Formula:C14H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide |
| MolecularFormula | C14H12N4O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(c2ccco2)=O)=O)cc1)=O |
| InChI | InChI=1S/C14H12N4O5/c19-13(9-15-14(20)12-2-1-7-23-12)17-16-8-10-3-5-11(6-4-10)18(21)22/h1-8H,9H2,(H,15,20)(H,17,19) |
| InChIK | JPULJIXTTBXLFC-UHFFFAOYSA-N |
| TotalMolweight | 316.272 |
| Molweight | 316.272 |
| MonoisotopicMass | 316.080771 |
| CLogP | 0.5524 |
| CLogS | -3.63 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 243.32 |
| Relative PSA | 0.43169 |
| PolarSurfaceArea | 129.52 |
| Druglikeness | 0.44709 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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