N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide
Formula:C16H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C16H16N4O5 |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1ccco1)=O)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C16H16N4O5/c21-16(15-2-1-7-25-15)18-17-11-12-3-4-13(14(10-12)20(22)23)19-5-8-24-9-6-19/h1-4,7,10-11H,5-6,8-9H2,(H,18,21) |
| InChIK | VEPZDHHCODMQLX-UHFFFAOYSA-N |
| TotalMolweight | 344.326 |
| Molweight | 344.326 |
| MonoisotopicMass | 344.112071 |
| CLogP | 1.1377 |
| CLogS | -3.966 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 262.19 |
| Relative PSA | 0.35886 |
| PolarSurfaceArea | 112.89 |
| Druglikeness | 0.17288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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