[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Formula:C22H17N2O4I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C22H17N2O4I |
| Smiles | O[C@@H](C(N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O)=O)c1ccccc1 |
| InChI | InChI=1S/C22H17IN2O4/c23-19-9-5-4-8-18(19)22(28)29-17-12-10-15(11-13-17)14-24-25-21(27)20(26)16-6-2-1-3-7-16/h1-14,20,26H,(H,25,27)/t20-/m1/s1 |
| InChIK | FODTWSAFJTWCSW-HXUWFJFHSA-N |
| TotalMolweight | 500.287 |
| Molweight | 500.287 |
| MonoisotopicMass | 500.023306 |
| CLogP | 3.9972 |
| CLogS | -5.624 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 319.63 |
| Relative PSA | 0.22573 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 5.3126 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
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