3-chloro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1-benzothiophene-2-carboxamide
Formula:C16H11N2O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C16H11N2O2ClS |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C16H11ClN2O2S/c17-14-12-7-1-2-8-13(12)22-15(14)16(20)19-18-9-3-5-11-6-4-10-21-11/h1-10H,(H,19,20) |
| InChIK | QCWCBVWPLNQKDF-UHFFFAOYSA-N |
| TotalMolweight | 330.794 |
| Molweight | 330.794 |
| MonoisotopicMass | 330.022975 |
| CLogP | 3.9358 |
| CLogS | -5.78 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.14 |
| Relative PSA | 0.28289 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 5.4212 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| StereoCon |
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