[3-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C22H15N2O4Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[3-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C22H15N2O4Cl3 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c1cc(OC(c(cc2)ccc2Cl)=O)ccc1 |
| InChI | InChI=1S/C22H15Cl3N2O4/c23-16-6-4-15(5-7-16)22(29)31-18-3-1-2-14(10-18)12-26-27-21(28)13-30-20-9-8-17(24)11-19(20)25/h1-12H,13H2,(H,27,28) |
| InChIK | FKJIHJWGAZOQDX-UHFFFAOYSA-N |
| TotalMolweight | 477.73 |
| Molweight | 477.73 |
| MonoisotopicMass | 476.009739 |
| CLogP | 6.025 |
| CLogS | -7.179 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 344.52 |
| Relative PSA | 0.20042 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [3-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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