2-(4-iodoanilino)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H15N4O4I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-iodoanilino)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-iodoanilino)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H15N4O4I |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(CNc(cc2)ccc2I)=O)o1)=O |
| InChI | InChI=1S/C19H15IN4O4/c20-14-3-5-15(6-4-14)21-12-19(25)23-22-11-17-9-10-18(28-17)13-1-7-16(8-2-13)24(26)27/h1-11,21H,12H2,(H,23,25) |
| InChIK | DDYFDWYFCXLKHI-UHFFFAOYSA-N |
| TotalMolweight | 490.252 |
| Molweight | 490.252 |
| MonoisotopicMass | 490.013804 |
| CLogP | 2.9479 |
| CLogS | -6.479 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 311.61 |
| Relative PSA | 0.29524 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | 2.3304 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| 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 | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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