(2Z)-2-benzylidenenaphtho[3,2-e][1]benzothiole-1,6,11-trione
Formula:C23H12O3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidenenaphtho[3,2-e][1]benzothiole-1,6,11-trione is a drug-like molecule.
| MolName | (2Z)-2-benzylidenenaphtho[3,2-e][1]benzothiole-1,6,11-trione |
| MolecularFormula | C23H12O3S |
| Smiles | O=C1c(c(C(c2c3cccc2)=O)c(cc2)C3=O)c2S/C1=C\c1ccccc1 |
| InChI | InChI=1S/C23H12O3S/c24-21-14-8-4-5-9-15(14)22(25)19-16(21)10-11-17-20(19)23(26)18(27-17)12-13-6-2-1-3-7-13/h1-12H |
| InChIK | IHZFOSIUVRFANZ-UHFFFAOYSA-N |
| TotalMolweight | 368.411 |
| Molweight | 368.411 |
| MonoisotopicMass | 368.050715 |
| CLogP | 4.4435 |
| CLogS | -7.87 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.23 |
| Relative PSA | 0.21671 |
| PolarSurfaceArea | 76.51 |
| Druglikeness | 1.4299 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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