[3-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C20H13N3O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is a drug-like molecule.
| MolName | [3-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C20H13N3O3BrF |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C\c1cc(OC(c2cc(F)ccc2)=O)ccc1 |
| InChI | InChI=1S/C20H13BrFN3O3/c21-16-8-15(11-23-12-16)19(26)25-24-10-13-3-1-6-18(7-13)28-20(27)14-4-2-5-17(22)9-14/h1-12H,(H,25,26) |
| InChIK | RUKONQCBLZXRGL-UHFFFAOYSA-N |
| TotalMolweight | 442.243 |
| Molweight | 442.243 |
| MonoisotopicMass | 441.012431 |
| CLogP | 4.4572 |
| CLogS | -5.544 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 298.24 |
| Relative PSA | 0.23478 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 0.86759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [3-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [3-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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