[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C28H18N2O7Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C28H18N2O7Cl2 |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C28H18Cl2N2O7/c29-19-6-1-16(2-7-19)27(36)38-22-11-5-18(15-31-32-26(35)23-12-10-21(33)13-24(23)34)25(14-22)39-28(37)17-3-8-20(30)9-4-17/h1-15,33-34H,(H,32,35) |
| InChIK | FXUVBQLHHUFDPA-UHFFFAOYSA-N |
| TotalMolweight | 565.364 |
| Molweight | 565.364 |
| MonoisotopicMass | 564.049107 |
| CLogP | 6.5832 |
| CLogS | -7.541 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 405.55 |
| Relative PSA | 0.26702 |
| PolarSurfaceArea | 134.52 |
| Druglikeness | 4.0444 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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