[3-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C22H16N2O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [3-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C22H16N2O4ClF |
| Smiles | O=C(COc(cc1)ccc1F)N/N=C\c1cccc(OC(c(cc2)ccc2Cl)=O)c1 |
| InChI | InChI=1S/C22H16ClFN2O4/c23-17-6-4-16(5-7-17)22(28)30-20-3-1-2-15(12-20)13-25-26-21(27)14-29-19-10-8-18(24)9-11-19/h1-13H,14H2,(H,26,27) |
| InChIK | HUCCENNUEATKQO-UHFFFAOYSA-N |
| TotalMolweight | 426.83 |
| Molweight | 426.83 |
| MonoisotopicMass | 426.078263 |
| CLogP | 4.9138 |
| CLogS | -6.021 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.03 |
| Relative PSA | 0.21576 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.6806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - [3-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-[(Z)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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