N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]thiophene-2-carboxamide
Formula:C14H11N2OFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]thiophene-2-carboxamide |
| MolecularFormula | C14H11N2OFS2 |
| Smiles | O=C(c1cccs1)N/N=C1/c(cc(cc2)F)c2SCC1 |
| InChI | InChI=1S/C14H11FN2OS2/c15-9-3-4-12-10(8-9)11(5-7-20-12)16-17-14(18)13-2-1-6-19-13/h1-4,6,8H,5,7H2,(H,17,18) |
| InChIK | GOPDPTLUJATMSP-UHFFFAOYSA-N |
| TotalMolweight | 306.384 |
| Molweight | 306.384 |
| MonoisotopicMass | 306.029681 |
| CLogP | 2.8744 |
| CLogS | -5.301 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 219 |
| Relative PSA | 0.33726 |
| PolarSurfaceArea | 95 |
| Druglikeness | 3.9548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]thiophene-2-carboxamide | 2 - N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]thiophene-2-carboxamide
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