2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-pyridin-4-ylmethylideneamino]amino]ethanol
Formula:C15H14N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-pyridin-4-ylmethylideneamino]amino]ethanol is a drug-like molecule.
| MolName | 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-pyridin-4-ylmethylideneamino]amino]ethanol |
| MolecularFormula | C15H14N4O3S |
| Smiles | OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c1ccncc1 |
| InChI | InChI=1S/C15H14N4O3S/c20-10-9-19(17-11-12-5-7-16-8-6-12)15-13-3-1-2-4-14(13)23(21,22)18-15/h1-8,11,20H,9-10H2 |
| InChIK | FYTYNQBPEZIVJX-UHFFFAOYSA-N |
| TotalMolweight | 330.367 |
| Molweight | 330.367 |
| MonoisotopicMass | 330.078661 |
| CLogP | 1.3552 |
| CLogS | -2.22 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 238.76 |
| Relative PSA | 0.3318 |
| PolarSurfaceArea | 103.6 |
| Druglikeness | 4.2733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-pyridin-4-ylmethylideneamino]amino]ethanol | 2 - 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(Z)-pyridin-4-ylmethylideneamino]amino]ethanol
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