[3-benzoyloxy-4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C26H18N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C26H18N4O5 |
| Smiles | O=C(c1nccnc1)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C26H18N4O5/c31-24(22-17-27-13-14-28-22)30-29-16-20-11-12-21(34-25(32)18-7-3-1-4-8-18)15-23(20)35-26(33)19-9-5-2-6-10-19/h1-17H,(H,30,31) |
| InChIK | WVKCBFYQXGMJHY-UHFFFAOYSA-N |
| TotalMolweight | 466.452 |
| Molweight | 466.452 |
| MonoisotopicMass | 466.127721 |
| CLogP | 4.1148 |
| CLogS | -5.095 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 359.53 |
| Relative PSA | 0.28935 |
| PolarSurfaceArea | 119.84 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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