[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C26H19N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C26H19N2O4F |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c(cc1)ccc1OC(c1cccc(F)c1)=O |
| InChI | InChI=1S/C26H19FN2O4/c27-22-7-3-6-21(14-22)26(31)33-23-11-8-18(9-12-23)16-28-29-25(30)17-32-24-13-10-19-4-1-2-5-20(19)15-24/h1-16H,17H2,(H,29,30) |
| InChIK | KDKOOLGMQQWWGP-UHFFFAOYSA-N |
| TotalMolweight | 442.445 |
| Molweight | 442.445 |
| MonoisotopicMass | 442.132886 |
| CLogP | 5.5022 |
| CLogS | -6.891 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 339.21 |
| Relative PSA | 0.20356 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.6289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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