[4-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C22H15N2O4Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C22H15N2O4Cl2F |
| Smiles | O=C(COc(cc1)ccc1F)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C22H15Cl2FN2O4/c23-15-3-10-19(20(24)11-15)22(29)31-18-6-1-14(2-7-18)12-26-27-21(28)13-30-17-8-4-16(25)5-9-17/h1-12H,13H2,(H,27,28) |
| InChIK | LNKVBOXAVUHYSL-UHFFFAOYSA-N |
| TotalMolweight | 461.275 |
| Molweight | 461.275 |
| MonoisotopicMass | 460.03929 |
| CLogP | 5.5198 |
| CLogS | -6.757 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.45 |
| Relative PSA | 0.20584 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.6806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| 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 | 4 |
| StereoCon |
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1 - [4-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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