(7-hydroxy-2-oxochromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate
Formula:C18H11NO5S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(7-hydroxy-2-oxochromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate is a drug-like molecule.
| MolName | (7-hydroxy-2-oxochromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate |
| MolecularFormula | C18H11NO5S |
| Smiles | Oc(cc1)cc(O2)c1C(COC(c(cc1)cc3c1ncs3)=O)=CC2=O |
| InChI | InChI=1S/C18H11NO5S/c20-12-2-3-13-11(6-17(21)24-15(13)7-12)8-23-18(22)10-1-4-14-16(5-10)25-9-19-14/h1-7,9,20H,8H2 |
| InChIK | YUPGOJNEZKFNOQ-UHFFFAOYSA-N |
| TotalMolweight | 353.353 |
| Molweight | 353.353 |
| MonoisotopicMass | 353.035794 |
| CLogP | 2.186 |
| CLogS | -3.103 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.14 |
| Relative PSA | 0.36329 |
| PolarSurfaceArea | 113.96 |
| Druglikeness | -1.5408 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (7-hydroxy-2-oxochromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate | 2 - (7-hydroxy-2-oxochromen-4-yl)methyl 1,3-benzothiazole-6-carboxylate
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