[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C21H16N3O5I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C21H16N3O5I |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c(cc1)ccc1OC(c1ccco1)=O |
| InChI | InChI=1S/C21H16IN3O5/c22-17-5-2-1-4-16(17)20(27)23-13-19(26)25-24-12-14-7-9-15(10-8-14)30-21(28)18-6-3-11-29-18/h1-12H,13H2,(H,23,27)(H,25,26) |
| InChIK | UAECTZMNUSHHCX-UHFFFAOYSA-N |
| TotalMolweight | 517.274 |
| Molweight | 517.274 |
| MonoisotopicMass | 517.01347 |
| CLogP | 3.3416 |
| CLogS | -5.656 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 333.44 |
| Relative PSA | 0.29289 |
| PolarSurfaceArea | 110 |
| Druglikeness | 5.7229 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
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