2-[5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate
Formula:C17H11N2O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 2-[5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate |
| MolecularFormula | C17H11N2O4S |
| Smiles | [O-]C(c(cccc1)c1-c1ccc(/C=N\NC(c2cccs2)=O)o1)=O |
| InChI | InChI=1S/C17H12N2O4S/c20-16(15-6-3-9-24-15)19-18-10-11-7-8-14(23-11)12-4-1-2-5-13(12)17(21)22/h1-10H,(H,19,20)(H,21,22)/p-1 |
| InChIK | PXWLRXXSEOGCIO-UHFFFAOYSA-M |
| TotalMolweight | 339.35 |
| Molweight | 339.35 |
| MonoisotopicMass | 339.043953 |
| CLogP | 1.4162 |
| CLogS | -5.204 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 257.66 |
| Relative PSA | 0.37957 |
| PolarSurfaceArea | 122.97 |
| Druglikeness | 7.8598 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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