N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
Formula:C18H11N3O5ClI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide |
| MolecularFormula | C18H11N3O5ClI |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(c(cc3)cc(O)c3I)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C18H11ClIN3O5/c19-14-4-2-11(23(26)27)8-13(14)17-6-3-12(28-17)9-21-22-18(25)10-1-5-15(20)16(24)7-10/h1-9,24H,(H,22,25) |
| InChIK | SWQXGMNZEFOFBS-UHFFFAOYSA-N |
| TotalMolweight | 511.654 |
| Molweight | 511.654 |
| MonoisotopicMass | 510.943197 |
| CLogP | 3.9163 |
| CLogS | -7.097 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 308.16 |
| Relative PSA | 0.30387 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 1.8012 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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