[3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C21H14N2O5Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C21H14N2O5Cl2 |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C21H14Cl2N2O5/c22-13-4-6-16(18(23)9-13)21(29)30-15-3-1-2-12(8-15)11-24-25-20(28)17-7-5-14(26)10-19(17)27/h1-11,26-27H,(H,25,28) |
| InChIK | TXTYDUPWZVVLAZ-UHFFFAOYSA-N |
| TotalMolweight | 445.257 |
| Molweight | 445.257 |
| MonoisotopicMass | 444.027977 |
| CLogP | 5.1527 |
| CLogS | -6.071 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 318.04 |
| Relative PSA | 0.26805 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 4.0444 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - [3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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