[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
Formula:C19H13N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate |
| MolecularFormula | C19H13N4O3F |
| Smiles | O=C(c1nccnc1)N/N=C\c(cc1)ccc1OC(c(cccc1)c1F)=O |
| InChI | InChI=1S/C19H13FN4O3/c20-16-4-2-1-3-15(16)19(26)27-14-7-5-13(6-8-14)11-23-24-18(25)17-12-21-9-10-22-17/h1-12H,(H,24,25) |
| InChIK | PMMLLCRILHAQPM-UHFFFAOYSA-N |
| TotalMolweight | 364.335 |
| Molweight | 364.335 |
| MonoisotopicMass | 364.097169 |
| CLogP | 2.7851 |
| CLogS | -3.939 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 278.37 |
| Relative PSA | 0.29094 |
| PolarSurfaceArea | 93.54 |
| Druglikeness | 2.6576 |
| 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 | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate | 2 - [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
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