[4-[4-[(Z)-(phenylhydrazinylidene)methyl]pyrimidin-2-yl]phenyl] 4-fluorobenzoate
Formula:C24H17N4O2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[4-[(Z)-(phenylhydrazinylidene)methyl]pyrimidin-2-yl]phenyl] 4-fluorobenzoate is not a drug-like molecule.
| MolName | [4-[4-[(Z)-(phenylhydrazinylidene)methyl]pyrimidin-2-yl]phenyl] 4-fluorobenzoate |
| MolecularFormula | C24H17N4O2F |
| Smiles | O=C(c(cc1)ccc1F)Oc(cc1)ccc1-c1nc(/C=N\Nc2ccccc2)ccn1 |
| InChI | InChI=1S/C24H17FN4O2/c25-19-10-6-18(7-11-19)24(30)31-22-12-8-17(9-13-22)23-26-15-14-21(28-23)16-27-29-20-4-2-1-3-5-20/h1-16,29H |
| InChIK | LYKFUOSTDDBAPE-UHFFFAOYSA-N |
| TotalMolweight | 412.423 |
| Molweight | 412.423 |
| MonoisotopicMass | 412.133554 |
| CLogP | 6.506 |
| CLogS | -6.098 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.38 |
| Relative PSA | 0.21209 |
| PolarSurfaceArea | 76.47 |
| Druglikeness | 0.38134 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [4-[4-[(Z)-(phenylhydrazinylidene)methyl]pyrimidin-2-yl]phenyl] 4-fluorobenzoate | 2 - [4-[4-[(Z)-(phenylhydrazinylidene)methyl]pyrimidin-2-yl]phenyl] 4-fluorobenzoate
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