[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzenesulfonate
Formula:C15H11NO3ClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzenesulfonate is a drug-like molecule.
| MolName | [(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzenesulfonate |
| MolecularFormula | C15H11NO3ClFS2 |
| Smiles | O=S(c(cc1)ccc1Cl)(O/N=C1\c(cc(cc2)F)c2SCC1)=O |
| InChI | InChI=1S/C15H11ClFNO3S2/c16-10-1-4-12(5-2-10)23(19,20)21-18-14-7-8-22-15-6-3-11(17)9-13(14)15/h1-6,9H,7-8H2 |
| InChIK | QKDBDVWRXVGTSC-UHFFFAOYSA-N |
| TotalMolweight | 371.839 |
| Molweight | 371.839 |
| MonoisotopicMass | 370.985289 |
| CLogP | 4.5548 |
| CLogS | -5.15 |
| H Acceptors | 4 |
| TotalSurfaceArea | 247.85 |
| Relative PSA | 0.27266 |
| PolarSurfaceArea | 89.41 |
| Druglikeness | -0.13898 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzenesulfonate | 2 - [(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino] 4-chlorobenzenesulfonate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off