N-[(Z)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylethenyl]hydroxylamine
Formula:C15H12N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylethenyl]hydroxylamine is a drug-like molecule.
| MolName | N-[(Z)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylethenyl]hydroxylamine |
| MolecularFormula | C15H12N2OS2 |
| Smiles | ON/C(/c1ccccc1)=C\Sc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C15H12N2OS2/c18-17-13(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-14(12)20-15/h1-10,17-18H |
| InChIK | JEYCLCFWAKBDAK-UHFFFAOYSA-N |
| TotalMolweight | 300.405 |
| Molweight | 300.405 |
| MonoisotopicMass | 300.039103 |
| CLogP | 3.1955 |
| CLogS | -4.784 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 222.33 |
| Relative PSA | 0.33005 |
| PolarSurfaceArea | 98.69 |
| Druglikeness | 0.31264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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