(2E)-2-phenacylidene-4H-1,4-benzothiazin-3-one
Formula:C16H11NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-phenacylidene-4H-1,4-benzothiazin-3-one is a drug-like molecule.
| MolName | (2E)-2-phenacylidene-4H-1,4-benzothiazin-3-one |
| MolecularFormula | C16H11NO2S |
| Smiles | O=C(/C=C1/Sc(cccc2)c2NC1=O)c1ccccc1 |
| InChI | InChI=1S/C16H11NO2S/c18-13(11-6-2-1-3-7-11)10-15-16(19)17-12-8-4-5-9-14(12)20-15/h1-10H,(H,17,19) |
| InChIK | RKGREHWZYLIXPK-UHFFFAOYSA-N |
| TotalMolweight | 281.334 |
| Molweight | 281.334 |
| MonoisotopicMass | 281.051049 |
| CLogP | 1.6942 |
| CLogS | -4.502 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 208.68 |
| Relative PSA | 0.26371 |
| PolarSurfaceArea | 71.47 |
| Druglikeness | 3.4738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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