| MolName | (NZ)-N-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C9H8N3OClS |
| Smiles | O/N=C\c1cccn1Cc(s1)cnc1Cl |
| InChI | InChI=1S/C9H8ClN3OS/c10-9-11-5-8(15-9)6-13-3-1-2-7(13)4-12-14/h1-5,14H,6H2 |
| InChIK | WNNQQPWMZWIXMS-UHFFFAOYSA-N |
| TotalMolweight | 241.702 |
| Molweight | 241.702 |
| MonoisotopicMass | 241.007659 |
| CLogP | 2.4941 |
| CLogS | -2.264 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 177.21 |
| Relative PSA | 0.35444 |
| PolarSurfaceArea | 78.65 |
| Druglikeness | 3.8259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (NZ)-N-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methylidene]hydroxylamine