2-(4-iodophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H14N3O5I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(4-iodophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-iodophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N3O5I |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(COc(cc2)ccc2I)=O)o1)=O |
| InChI | InChI=1S/C19H14IN3O5/c20-14-3-7-16(8-4-14)27-12-19(24)22-21-11-17-9-10-18(28-17)13-1-5-15(6-2-13)23(25)26/h1-11H,12H2,(H,22,24) |
| InChIK | RAAUDNMSRXNJHB-UHFFFAOYSA-N |
| TotalMolweight | 491.236 |
| Molweight | 491.236 |
| MonoisotopicMass | 490.99782 |
| CLogP | 3.2309 |
| CLogS | -6.437 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 310.15 |
| Relative PSA | 0.29192 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | 1.7313 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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