N-[(Z)-(2-iodophenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide
Formula:C16H10N3O4I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-iodophenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-iodophenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide |
| MolecularFormula | C16H10N3O4I |
| Smiles | [O-][N+](c(cc1)cc2c1oc(C(N/N=C\c(cccc1)c1I)=O)c2)=O |
| InChI | InChI=1S/C16H10IN3O4/c17-13-4-2-1-3-10(13)9-18-19-16(21)15-8-11-7-12(20(22)23)5-6-14(11)24-15/h1-9H,(H,19,21) |
| InChIK | XBTZCZUKYBCYIO-UHFFFAOYSA-N |
| TotalMolweight | 435.172 |
| Molweight | 435.172 |
| MonoisotopicMass | 434.971605 |
| CLogP | 3.2227 |
| CLogS | -6.38 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 261.23 |
| Relative PSA | 0.30831 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 0.043333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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