(3E)-3-benzylidene-4-[(4-chlorophenyl)sulfonylmethoxy]-4H-chromene
Formula:C23H19O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(3E)-3-benzylidene-4-[(4-chlorophenyl)sulfonylmethoxy]-4H-chromene is a drug-like molecule.
| MolName | (3E)-3-benzylidene-4-[(4-chlorophenyl)sulfonylmethoxy]-4H-chromene |
| MolecularFormula | C23H19O4ClS |
| Smiles | O=S(COC1c(cccc2)c2OC/C1=C\c1ccccc1)(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C23H19ClO4S/c24-19-10-12-20(13-11-19)29(25,26)16-28-23-18(14-17-6-2-1-3-7-17)15-27-22-9-5-4-8-21(22)23/h1-14,23H,15-16H2/t23-/m0/s1 |
| InChIK | OFFNSXCBNITLCT-QHCPKHFHSA-N |
| TotalMolweight | 426.919 |
| Molweight | 426.919 |
| MonoisotopicMass | 426.069257 |
| CLogP | 4.7043 |
| CLogS | -6.112 |
| H Acceptors | 4 |
| TotalSurfaceArea | 308.01 |
| Relative PSA | 0.15772 |
| PolarSurfaceArea | 60.98 |
| Druglikeness | 1.0952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| StereoCon | racemate |
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