N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C19H14N3O5I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C19H14N3O5I |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c1ccc(-c(cc2)ccc2I)o1)=O)=O |
| InChI | InChI=1S/C19H14IN3O5/c20-14-7-5-13(6-8-14)17-10-9-15(28-17)11-21-22-19(24)12-27-18-4-2-1-3-16(18)23(25)26/h1-11H,12H2,(H,22,24) |
| InChIK | HWFLTHILLWPPRM-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 | 0.64286 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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