[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
Formula:C28H17N2O5Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate |
| MolecularFormula | C28H17N2O5Cl3 |
| Smiles | O=C(c(cccc1)c1Cl)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C28H17Cl3N2O5/c29-20-10-5-17(6-11-20)27(35)37-22-14-9-19(16-32-33-26(34)23-3-1-2-4-24(23)31)25(15-22)38-28(36)18-7-12-21(30)13-8-18/h1-16H,(H,33,34) |
| InChIK | YROWRDMKLGPIEY-UHFFFAOYSA-N |
| TotalMolweight | 567.811 |
| Molweight | 567.811 |
| MonoisotopicMass | 566.020304 |
| CLogP | 7.8806 |
| CLogS | -8.869 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 408.27 |
| Relative PSA | 0.20107 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| 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 | 4 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate | 2 - [4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
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