[4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C18H13N2O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C18H13N2O4ClS2 |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cc1 |
| InChI | InChI=1S/C18H13ClN2O4S2/c19-14-5-9-16(10-6-14)27(23,24)21-20-12-13-3-7-15(8-4-13)25-18(22)17-2-1-11-26-17/h1-12,21H |
| InChIK | RZEAFQLJBBVPMH-UHFFFAOYSA-N |
| TotalMolweight | 420.896 |
| Molweight | 420.896 |
| MonoisotopicMass | 420.000525 |
| CLogP | 4.1802 |
| CLogS | -4.132 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 296.69 |
| Relative PSA | 0.32003 |
| PolarSurfaceArea | 121.45 |
| Druglikeness | 5.9158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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