2-chloro-5-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H11N3O4ClI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-chloro-5-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H11N3O4ClI |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c(cc(cc2)I)c2Cl)=O)o1)=O |
| InChI | InChI=1S/C18H11ClIN3O4/c19-16-7-3-12(20)9-15(16)18(24)22-21-10-14-6-8-17(27-14)11-1-4-13(5-2-11)23(25)26/h1-10H,(H,22,24) |
| InChIK | DWIXSFKXDQXUET-UHFFFAOYSA-N |
| TotalMolweight | 495.655 |
| Molweight | 495.655 |
| MonoisotopicMass | 494.948282 |
| CLogP | 4.262 |
| CLogS | -7.393 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 301.81 |
| Relative PSA | 0.26686 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 1.8034 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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