(2Z)-N-(3-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
Formula:C15H10N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-N-(3-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2Z)-N-(3-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide |
| MolecularFormula | C15H10N4OS |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=N/Nc1cc(O)ccc1 |
| InChI | InChI=1S/C15H10N4OS/c16-9-13(19-18-10-4-3-5-11(20)8-10)15-17-12-6-1-2-7-14(12)21-15/h1-8,18,20H |
| InChIK | PJZHZEFSPWTJDO-UHFFFAOYSA-N |
| TotalMolweight | 294.337 |
| Molweight | 294.337 |
| MonoisotopicMass | 294.057531 |
| CLogP | 3.6859 |
| CLogS | -3.625 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 224.81 |
| Relative PSA | 0.36013 |
| PolarSurfaceArea | 109.54 |
| Druglikeness | -1.8979 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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