[4-[(Z)-[[2-[(4-fluorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
Formula:C27H20N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(4-fluorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(4-fluorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate |
| MolecularFormula | C27H20N3O4F |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1F)N/N=C\c(cc1)ccc1OC(c1cnccc1)=O |
| InChI | InChI=1S/C27H20FN3O4/c28-22-11-7-20(8-12-22)18-34-25-6-2-1-5-24(25)26(32)31-30-16-19-9-13-23(14-10-19)35-27(33)21-4-3-15-29-17-21/h1-17H,18H2,(H,31,32) |
| InChIK | HMIDGJJPNIMBIU-UHFFFAOYSA-N |
| TotalMolweight | 469.471 |
| Molweight | 469.471 |
| MonoisotopicMass | 469.143785 |
| CLogP | 5.0801 |
| CLogS | -6.051 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 363.13 |
| Relative PSA | 0.22036 |
| PolarSurfaceArea | 89.88 |
| Druglikeness | 2.4457 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-[(4-fluorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate | 2 - [4-[(Z)-[[2-[(4-fluorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
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