[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C28H17N2O5Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C28H17N2O5Cl2F |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C28H17Cl2FN2O5/c29-21-8-1-18(2-9-21)27(35)37-24-14-7-20(16-32-33-26(34)17-5-12-23(31)13-6-17)25(15-24)38-28(36)19-3-10-22(30)11-4-19/h1-16H,(H,33,34) |
| InChIK | ZRMLDLIBOGWZLM-UHFFFAOYSA-N |
| TotalMolweight | 551.356 |
| Molweight | 551.356 |
| MonoisotopicMass | 550.049855 |
| CLogP | 7.3754 |
| CLogS | -8.447 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 399.2 |
| Relative PSA | 0.20564 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | 2.7016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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