[3-benzoyloxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C27H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C27H19N3O5 |
| Smiles | O=C(c1cnccc1)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C27H19N3O5/c31-25(22-12-7-15-28-17-22)30-29-18-21-13-14-23(34-26(32)19-8-3-1-4-9-19)16-24(21)35-27(33)20-10-5-2-6-11-20/h1-18H,(H,30,31) |
| InChIK | COQMSDRAYQBALI-UHFFFAOYSA-N |
| TotalMolweight | 465.464 |
| Molweight | 465.464 |
| MonoisotopicMass | 465.132472 |
| CLogP | 5.0617 |
| CLogS | -5.866 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 360.77 |
| Relative PSA | 0.25795 |
| PolarSurfaceArea | 106.95 |
| Druglikeness | 3.9976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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