[3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C22H15N2O4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C22H15N2O4Cl3 |
| Smiles | O=C(COc1cc(Cl)ccc1)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C22H15Cl3N2O4/c23-15-4-2-5-17(10-15)30-13-21(28)27-26-12-14-3-1-6-18(9-14)31-22(29)19-8-7-16(24)11-20(19)25/h1-12H,13H2,(H,27,28) |
| InChIK | SJBDJBICZUOFIO-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 | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| 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 |
| StereoCon |
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1 - [3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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