[4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C23H17N2O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C23H17N2O3I |
| Smiles | O=C(/C=C/c1ccccc1)Oc1ccc(/C=N\NC(c(cccc2)c2I)=O)cc1 |
| InChI | InChI=1S/C23H17IN2O3/c24-21-9-5-4-8-20(21)23(28)26-25-16-18-10-13-19(14-11-18)29-22(27)15-12-17-6-2-1-3-7-17/h1-16H,(H,26,28) |
| InChIK | CZTUQKWRZUKGBY-UHFFFAOYSA-N |
| TotalMolweight | 496.299 |
| Molweight | 496.299 |
| MonoisotopicMass | 496.028391 |
| CLogP | 5.3984 |
| CLogS | -6.577 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 327.28 |
| Relative PSA | 0.18043 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.3061 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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