4-(6-chloro-7H-purin-8-yl)-1,3-thiazole
Formula:C8H4N5ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-(6-chloro-7H-purin-8-yl)-1,3-thiazole is a drug-like molecule.
| MolName | 4-(6-chloro-7H-purin-8-yl)-1,3-thiazole |
| MolecularFormula | C8H4N5ClS |
| Smiles | Clc1ncnc2c1[nH]c(-c1cscn1)n2 |
| InChI | InChI=1S/C8H4ClN5S/c9-6-5-8(11-2-10-6)14-7(13-5)4-1-15-3-12-4/h1-3H,(H,10,11,13,14) |
| InChIK | CZJXQQRJVGNHSN-UHFFFAOYSA-N |
| TotalMolweight | 237.674 |
| Molweight | 237.674 |
| MonoisotopicMass | 236.987592 |
| CLogP | 1.1936 |
| CLogS | -2.997 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 163.59 |
| Relative PSA | 0.47821 |
| PolarSurfaceArea | 95.59 |
| Druglikeness | 0.93 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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