[3-benzoyloxy-4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H19N2O5I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H19N2O5I |
| Smiles | O=C(c(cccc1)c1I)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C28H19IN2O5/c29-24-14-8-7-13-23(24)26(32)31-30-18-21-15-16-22(35-27(33)19-9-3-1-4-10-19)17-25(21)36-28(34)20-11-5-2-6-12-20/h1-18H,(H,31,32) |
| InChIK | CBLATGXCKODVCT-UHFFFAOYSA-N |
| TotalMolweight | 590.368 |
| Molweight | 590.368 |
| MonoisotopicMass | 590.033871 |
| CLogP | 6.4997 |
| CLogS | -7.677 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 388.29 |
| Relative PSA | 0.21141 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | 4.4521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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