[4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
Formula:C20H14N3O3F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C20H14N3O3F |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1OC(c1cccc(F)c1)=O |
| InChI | InChI=1S/C20H14FN3O3/c21-17-3-1-2-16(12-17)20(26)27-18-6-4-14(5-7-18)13-23-24-19(25)15-8-10-22-11-9-15/h1-13H,(H,24,25) |
| InChIK | DMMRNXIJCKSUBU-UHFFFAOYSA-N |
| TotalMolweight | 363.347 |
| Molweight | 363.347 |
| MonoisotopicMass | 363.10192 |
| CLogP | 3.732 |
| CLogS | -4.71 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.61 |
| Relative PSA | 0.25042 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 2.6576 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate | 2 - [4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
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