N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
Formula:C16H10N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C16H10N3O5Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(c3ccco3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C16H10ClN3O5/c17-13-5-3-10(20(22)23)8-12(13)14-6-4-11(25-14)9-18-19-16(21)15-2-1-7-24-15/h1-9H,(H,19,21) |
| InChIK | HKCBSLVVBXZXFK-UHFFFAOYSA-N |
| TotalMolweight | 359.724 |
| Molweight | 359.724 |
| MonoisotopicMass | 359.030899 |
| CLogP | 3.0136 |
| CLogS | -6.059 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 265.22 |
| Relative PSA | 0.35687 |
| PolarSurfaceArea | 113.56 |
| Druglikeness | 1.2763 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| 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 | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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