[2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C22H15N3O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C22H15N3O4ClF |
| Smiles | O=C(C(N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C22H15ClFN3O4/c23-16-7-5-14(6-8-16)22(30)31-19-4-2-1-3-15(19)13-25-27-21(29)20(28)26-18-11-9-17(24)10-12-18/h1-13H,(H,26,28)(H,27,29) |
| InChIK | GRXUJUHZJQFFTL-UHFFFAOYSA-N |
| TotalMolweight | 439.829 |
| Molweight | 439.829 |
| MonoisotopicMass | 439.073512 |
| CLogP | 4.2812 |
| CLogS | -6.045 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 325.48 |
| Relative PSA | 0.2567 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 2.0763 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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