[3-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C19H13N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [3-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C19H13N2O4F |
| Smiles | O=C(c1ccco1)Oc1cccc(/C=N\NC(c2cccc(F)c2)=O)c1 |
| InChI | InChI=1S/C19H13FN2O4/c20-15-6-2-5-14(11-15)18(23)22-21-12-13-4-1-7-16(10-13)26-19(24)17-8-3-9-25-17/h1-12H,(H,22,23) |
| InChIK | YRFFGCDBSPKWDI-UHFFFAOYSA-N |
| TotalMolweight | 352.32 |
| Molweight | 352.32 |
| MonoisotopicMass | 352.085936 |
| CLogP | 3.9216 |
| CLogS | -5.187 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 270.54 |
| Relative PSA | 0.27042 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 2.8627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| StereoCon |
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