(NZ)-N-[[1-(4-thiophen-2-ylpyrimidin-2-yl)pyrrol-2-yl]methylidene]hydroxylamine
Formula:C13H10N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[1-(4-thiophen-2-ylpyrimidin-2-yl)pyrrol-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[1-(4-thiophen-2-ylpyrimidin-2-yl)pyrrol-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C13H10N4OS |
| Smiles | O/N=C\c1cccn1-c1nccc(-c2cccs2)n1 |
| InChI | InChI=1S/C13H10N4OS/c18-15-9-10-3-1-7-17(10)13-14-6-5-11(16-13)12-4-2-8-19-12/h1-9,18H |
| InChIK | FWSZSPPNUDXGDJ-UHFFFAOYSA-N |
| TotalMolweight | 270.315 |
| Molweight | 270.315 |
| MonoisotopicMass | 270.057531 |
| CLogP | 3.301 |
| CLogS | -2.991 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 206.55 |
| Relative PSA | 0.3572 |
| PolarSurfaceArea | 91.54 |
| Druglikeness | 3.2866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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