[3-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
Formula:C17H12N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [3-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C17H12N2O4S |
| Smiles | O=C(c1cccs1)N/N=C\c1cc(OC(c2ccco2)=O)ccc1 |
| InChI | InChI=1S/C17H12N2O4S/c20-16(15-7-3-9-24-15)19-18-11-12-4-1-5-13(10-12)23-17(21)14-6-2-8-22-14/h1-11H,(H,19,20) |
| InChIK | INEGDQHIEWJXIJ-UHFFFAOYSA-N |
| TotalMolweight | 340.358 |
| Molweight | 340.358 |
| MonoisotopicMass | 340.051778 |
| CLogP | 3.6874 |
| CLogS | -4.883 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.13 |
| Relative PSA | 0.35951 |
| PolarSurfaceArea | 109.14 |
| Druglikeness | 5.6817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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