[4-[(Z)-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C22H17N2O5I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C22H17N2O5I |
| Smiles | O=C(COc(cc1)ccc1I)N/N=C\c(cc1)ccc1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C22H17IN2O5/c23-17-5-9-19(10-6-17)29-15-21(26)25-24-14-16-3-7-20(8-4-16)30-22(27)12-11-18-2-1-13-28-18/h1-14H,15H2,(H,25,26) |
| InChIK | HGUGPYWCXSMHHL-UHFFFAOYSA-N |
| TotalMolweight | 516.286 |
| Molweight | 516.286 |
| MonoisotopicMass | 516.018221 |
| CLogP | 4.162 |
| CLogS | -6.039 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 340.73 |
| Relative PSA | 0.24406 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | 2.2965 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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