[4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C28H19N2O4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C28H19N2O4Cl3 |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C28H19Cl3N2O4/c29-20-9-5-19(6-10-20)17-36-26-4-2-1-3-24(26)27(34)33-32-16-18-7-12-22(13-8-18)37-28(35)23-14-11-21(30)15-25(23)31/h1-16H,17H2,(H,33,34) |
| InChIK | QXHGMEQOLKMYSX-UHFFFAOYSA-N |
| TotalMolweight | 553.828 |
| Molweight | 553.828 |
| MonoisotopicMass | 552.041039 |
| CLogP | 7.7982 |
| CLogS | -8.74 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 404.28 |
| Relative PSA | 0.1708 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.8381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64865 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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