[4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C19H13N2O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C19H13N2O3FS |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=N\NC(c2cc(F)ccc2)=O)cc1 |
| InChI | InChI=1S/C19H13FN2O3S/c20-15-4-1-3-14(11-15)18(23)22-21-12-13-6-8-16(9-7-13)25-19(24)17-5-2-10-26-17/h1-12H,(H,22,23) |
| InChIK | QSGQMJVNIWXXLE-UHFFFAOYSA-N |
| TotalMolweight | 368.387 |
| Molweight | 368.387 |
| MonoisotopicMass | 368.063091 |
| CLogP | 4.5995 |
| CLogS | -5.515 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.79 |
| Relative PSA | 0.2869 |
| PolarSurfaceArea | 96 |
| Druglikeness | 4.6013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
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