[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino] 2-chloropyridine-3-carboxylate
Formula:C15H9N2O2ClS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino] 2-chloropyridine-3-carboxylate is not a drug-like molecule.
| MolName | [(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C15H9N2O2ClS2 |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c1ccc(-c2cccs2)s1 |
| InChI | InChI=1S/C15H9ClN2O2S2/c16-14-11(3-1-7-17-14)15(19)20-18-9-10-5-6-13(22-10)12-4-2-8-21-12/h1-9H |
| InChIK | HRGFNWLKUYGBLR-UHFFFAOYSA-N |
| TotalMolweight | 348.833 |
| Molweight | 348.833 |
| MonoisotopicMass | 347.979395 |
| CLogP | 5.409 |
| CLogS | -5.513 |
| H Acceptors | 4 |
| TotalSurfaceArea | 251.35 |
| Relative PSA | 0.34311 |
| PolarSurfaceArea | 108.03 |
| Druglikeness | -0.52941 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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