2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-(2-fluorophenyl)methylideneamino]amino]ethanol
Formula:C16H14N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-(2-fluorophenyl)methylideneamino]amino]ethanol is a drug-like molecule.
| MolName | 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-(2-fluorophenyl)methylideneamino]amino]ethanol |
| MolecularFormula | C16H14N3O3FS |
| Smiles | OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C16H14FN3O3S/c17-14-7-3-1-5-12(14)11-18-20(9-10-21)16-13-6-2-4-8-15(13)24(22,23)19-16/h1-8,11,21H,9-10H2 |
| InChIK | JTKCFGDTNWNPAO-UHFFFAOYSA-N |
| TotalMolweight | 347.369 |
| Molweight | 347.369 |
| MonoisotopicMass | 347.07399 |
| CLogP | 2.4569 |
| CLogS | -3.329 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 246.35 |
| Relative PSA | 0.27704 |
| PolarSurfaceArea | 90.71 |
| Druglikeness | 3.1916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-(2-fluorophenyl)methylideneamino]amino]ethanol | 2 - 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-(2-fluorophenyl)methylideneamino]amino]ethanol
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