[3-benzoyloxy-4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C29H22N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C29H22N2O5 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C29H22N2O5/c32-27(18-21-10-4-1-5-11-21)31-30-20-24-16-17-25(35-28(33)22-12-6-2-7-13-22)19-26(24)36-29(34)23-14-8-3-9-15-23/h1-17,19-20H,18H2,(H,31,32) |
| InChIK | NLQYJCYAJSEGIF-UHFFFAOYSA-N |
| TotalMolweight | 478.503 |
| Molweight | 478.503 |
| MonoisotopicMass | 478.152873 |
| CLogP | 6.0607 |
| CLogS | -6.626 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 375.77 |
| Relative PSA | 0.21846 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | 4.029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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