[3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C27H17N3O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C27H17N3O5Cl2 |
| Smiles | O=C(c1cnccc1)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C27H17Cl2N3O5/c28-21-8-3-17(4-9-21)26(34)36-23-12-7-19(16-31-32-25(33)20-2-1-13-30-15-20)24(14-23)37-27(35)18-5-10-22(29)11-6-18/h1-16H,(H,32,33) |
| InChIK | SFHDJNAYFXEDEF-UHFFFAOYSA-N |
| TotalMolweight | 534.354 |
| Molweight | 534.354 |
| MonoisotopicMass | 533.054526 |
| CLogP | 6.2737 |
| CLogS | -7.338 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 391.61 |
| Relative PSA | 0.23763 |
| PolarSurfaceArea | 106.95 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
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